N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-propan-2-ylsulfonyl-benzamide Openeye Name: N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-isopropylsulfonyl-benzamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonylbenzamide Traditional Name: N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-isopropylsulfonyl-benzamide Formula: C26H26N2O3S2 MolecularWeight: 478.62624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C(C)C)C

InChI

InChI=1S/C26H26N2O3S2/c1-17(2)33(30,31)22-12-8-11-21(15-22)25(29)28(16-20-9-6-5-7-10-20)26-27-23-14-18(3)13-19(4)24(23)32-26/h5-15,17H,16H2,1-4H3