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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)acetamide Traditional Name: 2-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-piperonyl-acetamide Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O5S/c1-28-12-3-4-14-13(7-12)18-19(23-14)20(27)25(21(31)24-18)9-17(26)22-8-11-2-5-15-16(6-11)30-10-29-15/h2-7,23H,8-10H2,1H3,(H,22,26)(H,24,31)