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

Systemtic Name: 6-(4-methylsulfanylphenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(4-methylsulfanylphenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-[4-(methylthio)phenyl]-5-(1-oxopropyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(4-methylsulfanylphenyl)-5-propanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-[4-(methylthio)phenyl]-5-propionyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O2S/c1-3-21(27)25-19-9-5-4-7-17(19)24-18-8-6-10-20(26)22(18)23(25)15-11-13-16(28-2)14-12-15/h4-5,7,9,11-14,23-24H,3,6,8,10H2,1-2H3