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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-[(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-[(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide CAS Name: N-[(4-chlorophenyl)methyl]-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzamide Traditional Name: N-(4-chlorobenzyl)-4-[(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)methyl]benzamide Formula: C26H21ClN4O3S MolecularWeight: 504.98794

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=CC=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN4O3S/c1-34-19-10-11-21-20(12-19)22-23(29-21)25(33)31(26(35)30-22)14-16-2-6-17(7-3-16)24(32)28-13-15-4-8-18(27)9-5-15/h2-12,29H,13-14H2,1H3,(H,28,32)(H,30,35)