N-(4-butylphenyl)-4-(diphenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-(diphenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzhydryl-N-(4-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(diphenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzhydryl-N-(4-butylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzhydryl-N-(4-butylphenyl)piperazine-1-carbothioamide Formula: C28H33N3S MolecularWeight: 443.64672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3S/c1-2-3-10-23-15-17-26(18-16-23)29-28(32)31-21-19-30(20-22-31)27(24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-18,27H,2-3,10,19-22H2,1H3,(H,29,32)