4-tert-butyl-N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]benzamide CAS Name: 4-tert-butyl-N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]benzamide Traditional Name: 4-tert-butyl-N-[3-keto-3-[(6-mesyl-1,3-benzothiazol-2-yl)amino]propyl]benzamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H25N3O4S2/c1-22(2,3)15-7-5-14(6-8-15)20(27)23-12-11-19(26)25-21-24-17-10-9-16(31(4,28)29)13-18(17)30-21/h5-10,13H,11-12H2,1-4H3,(H,23,27)(H,24,25,26)