2-[carbamothioyl(phenyl)amino]-3-phenyl-N-(1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propanamide

Systemtic Name: 2-[carbamothioyl(phenyl)amino]-3-phenyl-N-(1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propanamide Openeye Name: 2-(N-carbamothioylanilino)-3-phenyl-N-(1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propanamide CAS Name: 2-(N-carbamothioylanilino)-3-phenyl-N-(1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propanamide IUPAC Name: 2-(N-carbamothioylanilino)-3-phenyl-N-(1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)propanamide Traditional Name: 3-phenyl-N-(1-phenyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-(N-thiocarbamoylanilino)propionamide Formula: C31H31N5OS MolecularWeight: 521.67574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2N(C1)NC(=O)C(CC3=CC=CC=C3)N(C4=CC=CC=C4)C(=S)N)C5=CC=CC=C5

Isomeric SMILES

C1CN(C2=CC=CC=C2N(C1)NC(=O)C(CC3=CC=CC=C3)N(C4=CC=CC=C4)C(=S)N)C5=CC=CC=C5

InChI

InChI=1S/C31H31N5OS/c32-31(38)36(26-17-8-3-9-18-26)29(23-24-13-4-1-5-14-24)30(37)33-35-22-12-21-34(25-15-6-2-7-16-25)27-19-10-11-20-28(27)35/h1-11,13-20,29H,12,21-23H2,(H2,32,38)(H,33,37)