tert-butyl N-[(3,4-dichlorophenyl)methyl]-N-[[3-[[(2-methylpropan-2-yl)oxycarbonyl-[(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)methyl]amino]methyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[(3,4-dichlorophenyl)methyl]-N-[[3-[[(2-methylpropan-2-yl)oxycarbonyl-[(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)methyl]amino]methyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[[tert-butoxycarbonyl-[(3,4-dichlorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)methyl]carbamate CAS Name: N-[(3,4-dichlorophenyl)methyl]-N-[[3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]-[(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)methyl]amino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3,4-dichlorophenyl)methyl]-N-[[3-[[(2-methylpropan-2-yl)oxycarbonyl-[(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)methyl]amino]methyl]phenyl]methyl]carbamate Traditional Name: N-[3-[[tert-butoxycarbonyl-(3,4-dichlorobenzyl)amino]methyl]benzyl]-N-[(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)methyl]carbamic acid tert-butyl ester Formula: C35H41Cl2N3O5S MolecularWeight: 686.68814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=S)NC2=C(O1)C=CC(=C2)CN(CC3=CC(=CC=C3)CN(CC4=CC(=C(C=C4)Cl)Cl)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1C(=S)NC2=C(O1)C=CC(=C2)CN(CC3=CC(=CC=C3)CN(CC4=CC(=C(C=C4)Cl)Cl)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H41Cl2N3O5S/c1-22-31(46)38-29-17-26(12-14-30(29)43-22)21-40(33(42)45-35(5,6)7)19-24-10-8-9-23(15-24)18-39(32(41)44-34(2,3)4)20-25-11-13-27(36)28(37)16-25/h8-17,22H,18-21H2,1-7H3,(H,38,46)