1-[6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanoyl]piperidine-4-carboxamide Openeye Name: 1-[6-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanoyl]piperidine-4-carboxamide CAS Name: 1-[6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-1-oxohexyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanoyl]piperidine-4-carboxamide Traditional Name: 1-[6-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)hexanoyl]isonipecotamide Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCCC(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCCC(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C23H29N5O4S/c1-32-15-6-7-17-16(13-15)19-20(25-17)22(31)28(23(33)26-19)10-4-2-3-5-18(29)27-11-8-14(9-12-27)21(24)30/h6-7,13-14,25H,2-5,8-12H2,1H3,(H2,24,30)(H,26,33)