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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)hexanamide Traditional Name: 6-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-piperonyl-hexanamide Formula: C25H26N4O5S MolecularWeight: 494.56274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2NC(=S)N(C3=O)CCCCCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N4O5S/c1-32-16-7-8-18-17(12-16)22-23(27-18)24(31)29(25(35)28-22)10-4-2-3-5-21(30)26-13-15-6-9-19-20(11-15)34-14-33-19/h6-9,11-12,27H,2-5,10,13-14H2,1H3,(H,26,30)(H,28,35)