3-(1,3-benzodioxol-5-yl)-2-imidazol-1-ylcarbothioyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-imidazol-1-ylcarbothioyl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-(imidazole-1-carbothioyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[1-imidazolyl(sulfanylidene)methyl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-(imidazole-1-carbothioyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(imidazole-1-carbothioyl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(N1C(=S)N3C=CN=C3)C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C6C2=O

Isomeric SMILES

C1C2=C(C(N1C(=S)N3C=CN=C3)C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C6C2=O

InChI

InChI=1S/C22H16N4O3S/c27-21-14-3-1-2-4-16(14)24-19-15(21)10-26(22(30)25-8-7-23-11-25)20(19)13-5-6-17-18(9-13)29-12-28-17/h1-9,11,20H,10,12H2,(H,24,27)