S-[[4-[3-(phenylsulfonyl)phenyl]-1,3-thiazol-2-yl]amino] 4-methylpiperazine-1-carbothioate

Systemtic Name: S-[[4-[3-(phenylsulfonyl)phenyl]-1,3-thiazol-2-yl]amino] 4-methylpiperazine-1-carbothioate Openeye Name: S-[[4-[3-(benzenesulfonyl)phenyl]thiazol-2-yl]amino] 4-methylpiperazine-1-carbothioate CAS Name: 4-methyl-1-piperazinecarbothioic acid S-[[4-[3-(benzenesulfonyl)phenyl]-2-thiazolyl]amino] ester IUPAC Name: S-[[4-[3-(benzenesulfonyl)phenyl]-1,3-thiazol-2-yl]amino] 4-methylpiperazine-1-carbothioate Traditional Name: 4-methylpiperazine-1-carbothioic acid S-[[4-(3-besylphenyl)thiazol-2-yl]amino] ester Formula: C21H22N4O3S3 MolecularWeight: 474.61938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)SNC2=NC(=CS2)C3=CC(=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)SNC2=NC(=CS2)C3=CC(=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S3/c1-24-10-12-25(13-11-24)21(26)30-23-20-22-19(15-29-20)16-6-5-9-18(14-16)31(27,28)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,22,23)