4-(3-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chlorophenyl)-N-(4-morpholinosulfonylphenyl)piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-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=C2)Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

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