11-methyl-6-(1-methylpiperidin-4-yl)-8-methylsulfanyl-benzo[b][1,4]benzodiazepine

Systemtic Name: 11-methyl-6-(1-methylpiperidin-4-yl)-8-methylsulfanyl-benzo[b][1,4]benzodiazepine Openeye Name: 11-methyl-6-(1-methyl-4-piperidyl)-8-methylsulfanyl-benzo[b][1,4]benzodiazepine CAS Name: 11-methyl-6-(1-methyl-4-piperidinyl)-8-(methylthio)benzo[b][1,4]benzodiazepine IUPAC Name: 11-methyl-6-(1-methylpiperidin-4-yl)-8-methylsulfanylbenzo[b][1,4]benzodiazepine Traditional Name: 11-methyl-6-(1-methyl-4-piperidyl)-8-(methylthio)benzo[b][1,4]benzodiazepine Formula: C21H25N3S MolecularWeight: 351.5083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=NC3=CC=CC=C3N(C4=C2C=C(C=C4)SC)C

Isomeric SMILES

CN1CCC(CC1)C2=NC3=CC=CC=C3N(C4=C2C=C(C=C4)SC)C

InChI

InChI=1S/C21H25N3S/c1-23-12-10-15(11-13-23)21-17-14-16(25-3)8-9-19(17)24(2)20-7-5-4-6-18(20)22-21/h4-9,14-15H,10-13H2,1-3H3