6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]hexanamide

Systemtic Name: 6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]hexanamide Openeye Name: 6-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]hexanamide CAS Name: 6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]hexanamide IUPAC Name: 6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]hexanamide Traditional Name: 6-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-m-anisyl-hexanamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCCC(=O)NCC4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCCC(=O)NCC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H28N4O4S/c1-32-17-8-6-7-16(13-17)15-26-21(30)9-4-3-5-12-29-24(31)23-22(28-25(29)34)19-14-18(33-2)10-11-20(19)27-23/h6-8,10-11,13-14,27H,3-5,9,12,15H2,1-2H3,(H,26,30)(H,28,34)