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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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