N-(2-methoxy-5-methyl-phenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)acetamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

InChI

InChI=1S/C22H20N4O2S/c1-14-9-10-19(28-2)18(12-14)24-20(27)13-29-22-15-6-3-4-7-16(15)25-21-17(26-22)8-5-11-23-21/h3-12H,13H2,1-2H3,(H,23,25)(H,24,27)