N-(1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)carbamothioyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)carbamothioyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(o-tolylcarbamothioyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2-methylanilino)-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)carbamothioyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(o-tolylthiocarbamoyl)isonipecotamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O3S/c1-14-4-2-3-5-17(14)23-21(28)24-10-8-15(9-11-24)20(25)22-16-6-7-18-19(12-16)27-13-26-18/h2-7,12,15H,8-11,13H2,1H3,(H,22,25)(H,23,28)