N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonyl-amino]benzamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonyl-amino]benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-4-[methyl(p-tolylsulfonyl)amino]benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-4-[methyl(tosyl)amino]benzamide Formula: C21H22N4O4S3 MolecularWeight: 490.61878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=NC(=C(S3)SCC(=O)N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=NC(=C(S3)SCC(=O)N)C

InChI

InChI=1S/C21H22N4O4S3/c1-13-4-10-17(11-5-13)32(28,29)25(3)16-8-6-15(7-9-16)19(27)24-21-23-14(2)20(31-21)30-12-18(22)26/h4-11H,12H2,1-3H3,(H2,22,26)(H,23,24,27)