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

Systemtic Name: 4-[(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)methyl]-N-(3-pyridylmethyl)benzamide Formula: C25H21N5O3S MolecularWeight: 471.53094

Click to see the large picture

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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O3S/c1-33-18-8-9-20-19(11-18)21-22(28-20)24(32)30(25(34)29-21)14-15-4-6-17(7-5-15)23(31)27-13-16-3-2-10-26-12-16/h2-12,28H,13-14H2,1H3,(H,27,31)(H,29,34)