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

Systemtic Name: 4-(2,3-dimethylphenyl)-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-phenethyl-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)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3S/c1-17-7-6-10-20(18(17)2)23-13-15-24(16-14-23)21(25)22-12-11-19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3,(H,22,25)