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

Systemtic Name: 3-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide Openeye Name: 3-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide CAS Name: 3-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide IUPAC Name: 3-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide Traditional Name: 3-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-o-anisyl-propionamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCC(=O)NCC4=CC=CC=C4OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCC(=O)NCC4=CC=CC=C4OC

InChI

InChI=1S/C22H22N4O4S/c1-29-14-7-8-16-15(11-14)19-20(24-16)21(28)26(22(31)25-19)10-9-18(27)23-12-13-5-3-4-6-17(13)30-2/h3-8,11,24H,9-10,12H2,1-2H3,(H,23,27)(H,25,31)