N-(1,3-benzodioxol-5-yl)-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=S)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=S)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H20N4O3S/c25-19-22-15-3-1-2-4-16(15)24(19)14-7-9-23(10-8-14)20(28)21-13-5-6-17-18(11-13)27-12-26-17/h1-6,11,14H,7-10,12H2,(H,21,28)(H,22,25)