N-(4-butan-2-ylphenyl)-4-(diphenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(diphenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzhydryl-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-(diphenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzhydryl-N-(4-butan-2-ylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzhydryl-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C28H33N3S MolecularWeight: 443.64672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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