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

Systemtic Name: (2R)-N-(5-cycloheptyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-phenyl-2-(phenylcarbamothioylamino)propanamide Openeye Name: (2R)-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenyl-2-(phenylcarbamothioylamino)propanamide CAS Name: (2R)-2-[[anilino(sulfanylidene)methyl]amino]-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide IUPAC Name: (2R)-N-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-phenyl-2-(phenylcarbamothioylamino)propanamide Traditional Name: (2R)-N-(5-cycloheptyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)-3-phenyl-2-(phenylthiocarbamoylamino)propionamide Formula: C33H37N5O2S MolecularWeight: 567.74418

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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)C5CCCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)[C@@H](CC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4)C5CCCCCC5

InChI

InChI=1S/C33H37N5O2S/c1-38-28-21-13-12-20-26(28)29(24-16-8-2-3-9-17-24)36-30(32(38)40)37-31(39)27(22-23-14-6-4-7-15-23)35-33(41)34-25-18-10-5-11-19-25/h4-7,10-15,18-21,24,27,30H,2-3,8-9,16-17,22H2,1H3,(H,37,39)(H2,34,35,41)/t27-,30?/m1/s1