N-butyl-5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-methyl-pentanamide

Systemtic Name: N-butyl-5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-methyl-pentanamide Openeye Name: N-butyl-5-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-methyl-pentanamide CAS Name: N-butyl-5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-methylpentanamide IUPAC Name: N-butyl-5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-methylpentanamide Traditional Name: N-butyl-5-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-methyl-valeramide Formula: C21H28N4O3S MolecularWeight: 416.53702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

Isomeric SMILES

CCCCN(C)C(=O)CCCCN1C(=O)C2=C(C3=C(N2)C=CC(=C3)OC)NC1=S

InChI

InChI=1S/C21H28N4O3S/c1-4-5-11-24(2)17(26)8-6-7-12-25-20(27)19-18(23-21(25)29)15-13-14(28-3)9-10-16(15)22-19/h9-10,13,22H,4-8,11-12H2,1-3H3,(H,23,29)