N-(4-propan-2-ylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(4-propan-2-ylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide CAS Name: N-(4-propan-2-ylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)acetamide IUPAC Name: N-(4-propan-2-ylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide Traditional Name: N-p-cumenyl-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)acetamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4OS/c1-15(2)16-9-11-17(12-10-16)25-21(28)14-29-23-18-6-3-4-7-19(18)26-22-20(27-23)8-5-13-24-22/h3-13,15H,14H2,1-2H3,(H,24,26)(H,25,28)