3-(4-chlorophenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(4-chlorophenyl)-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(4-chlorophenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(4-chlorophenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(4-chlorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(4-chlorophenyl)-2-[(2-keto-2-piperidino-ethyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C23H21ClN4O2S MolecularWeight: 452.95644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Cl)NC5=CC=CC=C53

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)Cl)NC5=CC=CC=C53

InChI

InChI=1S/C23H21ClN4O2S/c24-15-8-10-16(11-9-15)28-22(30)21-20(17-6-2-3-7-18(17)25-21)26-23(28)31-14-19(29)27-12-4-1-5-13-27/h2-3,6-11,25H,1,4-5,12-14H2