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

Systemtic Name: 5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-phenyl-pentanamide Openeye Name: 5-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-phenyl-pentanamide CAS Name: 5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-phenylpentanamide IUPAC Name: 5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-phenylpentanamide Traditional Name: 5-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-phenyl-valeramide 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)CCCCC(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCC(=O)NC4=CC=CC=C4

InChI

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