6-(4-methylsulfanylphenyl)-5-pentanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(4-methylsulfanylphenyl)-5-pentanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(4-methylsulfanylphenyl)-5-pentanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-[4-(methylthio)phenyl]-5-(1-oxopentyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(4-methylsulfanylphenyl)-5-pentanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-[4-(methylthio)phenyl]-5-valeryl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=C(C=C4)SC

Isomeric SMILES

CCCCC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=C(C=C4)SC

InChI

InChI=1S/C25H28N2O2S/c1-3-4-12-23(29)27-21-10-6-5-8-19(21)26-20-9-7-11-22(28)24(20)25(27)17-13-15-18(30-2)16-14-17/h5-6,8,10,13-16,25-26H,3-4,7,9,11-12H2,1-2H3