1-[(2,6-dimethylphenyl)carbamothioyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[(2,6-dimethylphenyl)carbamothioyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[(2,6-dimethylphenyl)carbamothioyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[(2,6-dimethylanilino)-sulfanylidenemethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[(2,6-dimethylphenyl)carbamothioyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[(2,6-dimethylphenyl)thiocarbamoyl]-N-phenyl-nipecotamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N2CCCC(C2)C(=O)NC3=CC=CC=C3

InChI

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