N-(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-phenyl-2-(phenylcarbamothioylamino)propanamide

Systemtic Name: N-(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-phenyl-2-(phenylcarbamothioylamino)propanamide Openeye Name: N-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenyl-2-(phenylcarbamothioylamino)propanamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-N-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide IUPAC Name: N-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenyl-2-(phenylcarbamothioylamino)propanamide Traditional Name: N-(5-cyclohexyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)-3-phenyl-2-(phenylthiocarbamoylamino)propionamide Formula: C32H35N5O2S MolecularWeight: 553.7176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C32H35N5O2S/c1-37-27-20-12-11-19-25(27)28(23-15-7-3-8-16-23)35-29(31(37)39)36-30(38)26(21-22-13-5-2-6-14-22)34-32(40)33-24-17-9-4-10-18-24/h2,4-6,9-14,17-20,23,26,29H,3,7-8,15-16,21H2,1H3,(H,36,38)(H2,33,34,40)