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

Systemtic Name: 1-[4-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanoyl]piperidine-4-carboxamide Openeye Name: 1-[4-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanoyl]piperidine-4-carboxamide CAS Name: 1-[4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-1-oxobutyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanoyl]piperidine-4-carboxamide Traditional Name: 1-[4-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)butanoyl]isonipecotamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4S/c1-30-13-4-5-15-14(11-13)17-18(23-15)20(29)26(21(31)24-17)8-2-3-16(27)25-9-6-12(7-10-25)19(22)28/h4-5,11-12,23H,2-3,6-10H2,1H3,(H2,22,28)(H,24,31)