N-(3,5-dimethylphenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]ethanamide Openeye Name: 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-(3,5-dimethylphenyl)acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]acetamide IUPAC Name: 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-(3,5-dimethylphenyl)acetamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)N=C(S4)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)N=C(S4)C)C

InChI

InChI=1S/C25H25N3O3S2/c1-17-11-18(2)13-21(12-17)27-25(29)16-28(15-20-7-5-4-6-8-20)33(30,31)22-9-10-23-24(14-22)32-19(3)26-23/h4-14H,15-16H2,1-3H3,(H,27,29)