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

Systemtic Name: 1-[5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxamide Openeye Name: 1-[5-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxamide CAS Name: 1-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-1-oxopentyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanoyl]piperidine-4-carboxamide Traditional Name: 1-[5-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)pentanoyl]isonipecotamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4S/c1-31-14-5-6-16-15(12-14)18-19(24-16)21(30)27(22(32)25-18)9-3-2-4-17(28)26-10-7-13(8-11-26)20(23)29/h5-6,12-13,24H,2-4,7-11H2,1H3,(H2,23,29)(H,25,32)