3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)butanamide

Systemtic Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)butanamide Openeye Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-thienylmethyl)butanamide CAS Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)butanamide IUPAC Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)butanamide Traditional Name: 3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-thenyl)butyramide Formula: C18H21N3O3S3 MolecularWeight: 423.57264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C18H21N3O3S3/c1-11(2)17(18(22)19-10-13-5-4-8-25-13)21-27(23,24)14-6-7-15-16(9-14)26-12(3)20-15/h4-9,11,17,21H,10H2,1-3H3,(H,19,22)