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

Systemtic Name: N-(4-butylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C23H31N3S MolecularWeight: 381.57734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C23H31N3S/c1-3-4-5-20-10-12-22(13-11-20)24-23(27)26-16-14-25(15-17-26)18-21-8-6-19(2)7-9-21/h6-13H,3-5,14-18H2,1-2H3,(H,24,27)