2-(8-methoxy-3,5-dimethyl-4-oxidanylidene-pyrimido[5,4-b]indol-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-(8-methoxy-3,5-dimethyl-4-oxidanylidene-pyrimido[5,4-b]indol-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-(8-methoxy-3,5-dimethyl-4-oxo-pyrimido[5,4-b]indol-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[(8-methoxy-3,5-dimethyl-4-oxo-2-pyrimido[5,4-b]indolyl)thio]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-(8-methoxy-3,5-dimethyl-4-oxopyrimido[5,4-b]indol-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[(4-keto-8-methoxy-3,5-dimethyl-pyrimid[5,4-b]indol-2-yl)thio]-N-[3-(methylthio)phenyl]acetamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=N3)SCC(=O)NC4=CC(=CC=C4)SC)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1C(=O)N(C(=N3)SCC(=O)NC4=CC(=CC=C4)SC)C

InChI

InChI=1S/C22H22N4O3S2/c1-25-17-9-8-14(29-3)11-16(17)19-20(25)21(28)26(2)22(24-19)31-12-18(27)23-13-6-5-7-15(10-13)30-4/h5-11H,12H2,1-4H3,(H,23,27)