4-(3-chlorophenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide

Systemtic Name: 4-(3-chlorophenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide Openeye Name: 4-(3-chlorophenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)sulfonyl-N-propyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-chlorophenyl)sulfonyl-N-propylpiperazine-1-carbothioamide Traditional Name: 4-(3-chlorophenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide Formula: C14H20ClN3O2S2 MolecularWeight: 361.9105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H20ClN3O2S2/c1-2-6-16-14(21)17-7-9-18(10-8-17)22(19,20)13-5-3-4-12(15)11-13/h3-5,11H,2,6-10H2,1H3,(H,16,21)