N-(4-ethylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-ethylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-ethylphenyl)-4-(m-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(4-ethylphenyl)-4-[(3-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-ethylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-ethylphenyl)-4-(3-methylbenzyl)piperazine-1-carbothioamide Formula: C21H27N3S MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC(=C3)C

InChI

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