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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C22H22N4O3S/c1-13(14-6-4-3-5-7-14)23-18(27)10-11-26-21(28)20-19(25-22(26)30)16-12-15(29-2)8-9-17(16)24-20/h3-9,12-13,24H,10-11H2,1-2H3,(H,23,27)(H,25,30)