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

Systemtic Name: 4-[(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-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]-N-methyl-benzamide CAS Name: 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-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]-N-methylbenzamide Traditional Name: N-benzyl-4-[(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)methyl]-N-methyl-benzamide Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C5=C(N4)C=CC(=C5)OC)NC3=S

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C5=C(N4)C=CC(=C5)OC)NC3=S

InChI

InChI=1S/C27H24N4O3S/c1-30(15-17-6-4-3-5-7-17)25(32)19-10-8-18(9-11-19)16-31-26(33)24-23(29-27(31)35)21-14-20(34-2)12-13-22(21)28-24/h3-14,28H,15-16H2,1-2H3,(H,29,35)