4-(2,3-dimethylphenyl)-N-(1-phenylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-(1-phenylethyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-(1-phenylethyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-(1-phenylethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-(1-phenylethyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-(1-phenylethyl)piperazine-1-carbothioamide Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC(C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3S/c1-16-8-7-11-20(17(16)2)23-12-14-24(15-13-23)21(25)22-18(3)19-9-5-4-6-10-19/h4-11,18H,12-15H2,1-3H3,(H,22,25)