4-(2-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-chlorophenyl)-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2-chlorophenyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chlorophenyl)-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide Formula: C21H25ClN4O3S2 MolecularWeight: 481.0312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H25ClN4O3S2/c22-19-3-1-2-4-20(19)24-9-11-25(12-10-24)21(30)23-17-5-7-18(8-6-17)31(27,28)26-13-15-29-16-14-26/h1-8H,9-16H2,(H,23,30)