4-(1,3-benzodioxol-5-yloxy)-N-(2-chloranyl-3-methyl-phenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-N-(2-chloranyl-3-methyl-phenyl)piperidine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-3-methyl-phenyl)piperidine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-3-methylphenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-3-methylphenyl)piperidine-1-carbothioamide Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-N-(2-chloro-3-methyl-phenyl)piperidine-1-carbothioamide Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)OC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)OC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-13-3-2-4-16(19(13)21)22-20(27)23-9-7-14(8-10-23)26-15-5-6-17-18(11-15)25-12-24-17/h2-6,11,14H,7-10,12H2,1H3,(H,22,27)