6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)hexanamide

Systemtic Name: 6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)hexanamide Openeye Name: N-isopentyl-6-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide CAS Name: 6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)hexanamide IUPAC Name: 6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-(3-methylbutyl)hexanamide Traditional Name: N-isoamyl-6-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)hexanamide Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

Isomeric SMILES

CC(C)CCNC(=O)CCCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

InChI

InChI=1S/C22H30N4O3S/c1-14(2)10-11-23-18(27)7-5-4-6-12-26-21(28)20-19(25-22(26)30)16-13-15(29-3)8-9-17(16)24-20/h8-9,13-14,24H,4-7,10-12H2,1-3H3,(H,23,27)(H,25,30)