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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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