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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)pentanamide Traditional Name: 5-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-piperonyl-valeramide Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O5S/c1-31-15-6-7-17-16(11-15)21-22(26-17)23(30)28(24(34)27-21)9-3-2-4-20(29)25-12-14-5-8-18-19(10-14)33-13-32-18/h5-8,10-11,26H,2-4,9,12-13H2,1H3,(H,25,29)(H,27,34)