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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)butanamide Traditional Name: 4-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-piperonyl-butyramide Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O5S/c1-30-14-5-6-16-15(10-14)20-21(25-16)22(29)27(23(33)26-20)8-2-3-19(28)24-11-13-4-7-17-18(9-13)32-12-31-17/h4-7,9-10,25H,2-3,8,11-12H2,1H3,(H,24,28)(H,26,33)