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

Systemtic Name: 3-cyclohexyl-N-(1-methyl-5-phenyl-2-sulfanylidene-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: 3-cyclohexyl-N-(1-methyl-5-phenyl-2-thioxo-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: 3-cyclohexyl-N-(1-methyl-5-phenyl-2-sulfanylidene-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: 3-cyclohexyl-N-(1-methyl-5-phenyl-2-sulfanylidene-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 3-cyclohexyl-N-(1-methyl-5-phenyl-2-thioxo-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=S)NC(=O)CCC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=S)NC(=O)CCC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3OS/c1-28-21-15-9-8-14-20(21)23(19-12-6-3-7-13-19)27-24(25(28)30)26-22(29)17-16-18-10-4-2-5-11-18/h3,6-9,12-15,18,24H,2,4-5,10-11,16-17H2,1H3,(H,26,29)