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

Systemtic Name: N-(4-butylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanamide Openeye Name: N-(4-butylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide CAS Name: N-(4-butylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)acetamide IUPAC Name: N-(4-butylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide Traditional Name: N-(4-butylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)acetamide Formula: C24H24N4OS MolecularWeight: 416.53856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

InChI

InChI=1S/C24H24N4OS/c1-2-3-7-17-11-13-18(14-12-17)26-22(29)16-30-24-19-8-4-5-9-20(19)27-23-21(28-24)10-6-15-25-23/h4-6,8-15H,2-3,7,16H2,1H3,(H,25,27)(H,26,29)