3-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-phenethyl-propanamide

Systemtic Name: 3-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-phenethyl-propanamide Openeye Name: 3-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-phenethyl-propanamide CAS Name: 3-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-phenethylpropanamide IUPAC Name: 3-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-phenethylpropanamide Traditional Name: 3-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-phenethyl-propionamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c1-29-15-7-8-17-16(13-15)19-20(24-17)21(28)26(22(30)25-19)12-10-18(27)23-11-9-14-5-3-2-4-6-14/h2-8,13,24H,9-12H2,1H3,(H,23,27)(H,25,30)