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

Systemtic Name: N-butyl-2-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-methyl-ethanamide Openeye Name: N-butyl-2-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-methyl-acetamide CAS Name: N-butyl-2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-methylacetamide IUPAC Name: N-butyl-2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-methylacetamide Traditional Name: N-butyl-2-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-methyl-acetamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

Isomeric SMILES

CCCCN(C)C(=O)CN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

InChI

InChI=1S/C18H22N4O3S/c1-4-5-8-21(2)14(23)10-22-17(24)16-15(20-18(22)26)12-9-11(25-3)6-7-13(12)19-16/h6-7,9,19H,4-5,8,10H2,1-3H3,(H,20,26)