N-[(3,4-dichlorophenyl)methyl]-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-4-[2-(methylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Traditional Name: N-(3,4-dichlorobenzyl)-4-[2-(methylthio)phenyl]piperazine-1-carbothioamide Formula: C19H21Cl2N3S2 MolecularWeight: 426.42614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCN(CC2)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H21Cl2N3S2/c1-26-18-5-3-2-4-17(18)23-8-10-24(11-9-23)19(25)22-13-14-6-7-15(20)16(21)12-14/h2-7,12H,8-11,13H2,1H3,(H,22,25)