1-[4-[(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[4-[(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-[(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzoyl]piperidine-4-carboxamide CAS Name: 1-[[4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)methyl]benzoyl]piperidine-4-carboxamide Traditional Name: 1-[4-[(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)methyl]benzoyl]isonipecotamide Formula: C25H25N5O4S MolecularWeight: 491.5621

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)N5CCC(CC5)C(=O)N

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)N5CCC(CC5)C(=O)N

InChI

InChI=1S/C25H25N5O4S/c1-34-17-6-7-19-18(12-17)20-21(27-19)24(33)30(25(35)28-20)13-14-2-4-16(5-3-14)23(32)29-10-8-15(9-11-29)22(26)31/h2-7,12,15,27H,8-11,13H2,1H3,(H2,26,31)(H,28,35)