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

Systemtic Name: N-(4-ethoxyphenyl)-4-[(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide Openeye Name: N-(4-ethoxyphenyl)-4-[(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide CAS Name: N-(4-ethoxyphenyl)-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide Traditional Name: 4-[(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)methyl]-N-p-phenetyl-benzamide Formula: C27H24N4O4S MolecularWeight: 500.56886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C5=C(N4)C=CC(=C5)OC)NC3=S

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C5=C(N4)C=CC(=C5)OC)NC3=S

InChI

InChI=1S/C27H24N4O4S/c1-3-35-19-10-8-18(9-11-19)28-25(32)17-6-4-16(5-7-17)15-31-26(33)24-23(30-27(31)36)21-14-20(34-2)12-13-22(21)29-24/h4-14,29H,3,15H2,1-2H3,(H,28,32)(H,30,36)