2-[carbamothioyl(phenyl)amino]-N-[5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methyl-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-phenyl-propanamide

Systemtic Name: 2-[carbamothioyl(phenyl)amino]-N-[5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methyl-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-phenyl-propanamide Openeye Name: 2-(N-carbamothioylanilino)-N-[5-(3,3-dimethyl-2-oxo-butyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-phenyl-propanamide CAS Name: 2-(N-carbamothioylanilino)-N-[5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-phenylpropanamide IUPAC Name: 2-(N-carbamothioylanilino)-N-[5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-phenylpropanamide Traditional Name: N-[4-keto-5-(2-keto-3,3-dimethyl-butyl)-7-methyl-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]-3-phenyl-2-(N-thiocarbamoylanilino)propionamide Formula: C38H41N5O3S MolecularWeight: 647.82884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C(C)(C)C)NC(=O)C(CC3=CC=CC=C3)N(C4=CC=CC=C4)C(=S)N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C(C)(C)C)NC(=O)C(CC3=CC=CC=C3)N(C4=CC=CC=C4)C(=S)N)C5=CC=CC=C5

InChI

InChI=1S/C38H41N5O3S/c1-26-20-21-31-32(22-26)42(25-34(44)38(2,3)4)36(46)30(24-41(31)28-16-10-6-11-17-28)40-35(45)33(23-27-14-8-5-9-15-27)43(37(39)47)29-18-12-7-13-19-29/h5-22,30,33H,23-25H2,1-4H3,(H2,39,47)(H,40,45)