N-[2,3-bis(chloranyl)phenyl]-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[2,3-bis(chloranyl)phenyl]-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,3-dichlorophenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,3-dichlorophenyl)-4-(4-ethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dichlorophenyl)-4-(4-ethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,3-dichlorophenyl)-4-(4-ethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H21Cl2N3O2S2 MolecularWeight: 458.42494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C19H21Cl2N3O2S2/c1-2-14-6-8-15(9-7-14)28(25,26)24-12-10-23(11-13-24)19(27)22-17-5-3-4-16(20)18(17)21/h3-9H,2,10-13H2,1H3,(H,22,27)