N-(3,5-dimethylphenyl)-4-phenethyl-piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-phenethyl-piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-phenethyl-piperazine-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-phenethyl-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-phenethylpiperazine-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-4-phenethyl-piperazine-1-carbothioamide Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CCC3=CC=CC=C3)C

InChI

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