tert-butyl N-[[4-[4-ethyl-2-(methylaminocarbamoyl)-5-propyl-1,3-benzothiazol-6-yl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[4-ethyl-2-(methylaminocarbamoyl)-5-propyl-1,3-benzothiazol-6-yl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[4-ethyl-2-(methylaminocarbamoyl)-5-propyl-1,3-benzothiazol-6-yl]phenyl]methyl]carbamate CAS Name: N-[[4-[4-ethyl-2-[(methylhydrazo)-oxomethyl]-5-propyl-1,3-benzothiazol-6-yl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[4-ethyl-2-(methylaminocarbamoyl)-5-propyl-1,3-benzothiazol-6-yl]phenyl]methyl]carbamate Traditional Name: N-[4-[4-ethyl-2-(methylaminocarbamoyl)-5-propyl-1,3-benzothiazol-6-yl]benzyl]carbamic acid tert-butyl ester Formula: C26H34N4O3S MolecularWeight: 482.63816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C1C3=CC=C(C=C3)CNC(=O)OC(C)(C)C)SC(=N2)C(=O)NNC)CC

Isomeric SMILES

CCCC1=C(C2=C(C=C1C3=CC=C(C=C3)CNC(=O)OC(C)(C)C)SC(=N2)C(=O)NNC)CC

InChI

InChI=1S/C26H34N4O3S/c1-7-9-19-18(8-2)22-21(34-24(29-22)23(31)30-27-6)14-20(19)17-12-10-16(11-13-17)15-28-25(32)33-26(3,4)5/h10-14,27H,7-9,15H2,1-6H3,(H,28,32)(H,30,31)