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

Systemtic Name: 4-[(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-[(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide CAS Name: 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide Traditional Name: N-benzyl-4-[(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)methyl]benzamide Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3S/c1-33-19-11-12-21-20(13-19)22-23(28-21)25(32)30(26(34)29-22)15-17-7-9-18(10-8-17)24(31)27-14-16-5-3-2-4-6-16/h2-13,28H,14-15H2,1H3,(H,27,31)(H,29,34)