1-[(2,3-dimethylphenyl)carbamothioyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[(2,3-dimethylphenyl)carbamothioyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[(2,3-dimethylphenyl)carbamothioyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[(2,3-dimethylanilino)-sulfanylidenemethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[(2,3-dimethylphenyl)carbamothioyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[(2,3-dimethylphenyl)thiocarbamoyl]-N-phenyl-isonipecotamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3OS/c1-15-7-6-10-19(16(15)2)23-21(26)24-13-11-17(12-14-24)20(25)22-18-8-4-3-5-9-18/h3-10,17H,11-14H2,1-2H3,(H,22,25)(H,23,26)