O-[3-[(3,4-dimethylphenyl)carbamoyl]phenyl] piperidine-1-carbothioate

Systemtic Name: O-[3-[(3,4-dimethylphenyl)carbamoyl]phenyl] piperidine-1-carbothioate Openeye Name: O-[3-[(3,4-dimethylphenyl)carbamoyl]phenyl] piperidine-1-carbothioate CAS Name: 1-piperidinecarbothioic acid O-[3-[(3,4-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[3-[(3,4-dimethylphenyl)carbamoyl]phenyl] piperidine-1-carbothioate Traditional Name: piperidine-1-carbothioic acid O-[3-[(3,4-dimethylphenyl)carbamoyl]phenyl] ester Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)OC(=S)N3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)OC(=S)N3CCCCC3)C

InChI

InChI=1S/C21H24N2O2S/c1-15-9-10-18(13-16(15)2)22-20(24)17-7-6-8-19(14-17)25-21(26)23-11-4-3-5-12-23/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,22,24)