N-(4-butylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-[2-(methylthio)phenyl]piperazine-1-carbothioamide Formula: C22H29N3S2 MolecularWeight: 399.61576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C22H29N3S2/c1-3-4-7-18-10-12-19(13-11-18)23-22(26)25-16-14-24(15-17-25)20-8-5-6-9-21(20)27-2/h5-6,8-13H,3-4,7,14-17H2,1-2H3,(H,23,26)