N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)butanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)butanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]butanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)butanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)butanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]butyramide Formula: C18H20N2O3S3 MolecularWeight: 408.558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CCC1=CC=CS1)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCC(=O)N(CCC1=CC=CS1)C2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H20N2O3S3/c1-3-5-17(21)20(10-9-13-6-4-11-24-13)18-19-15-8-7-14(26(2,22)23)12-16(15)25-18/h4,6-8,11-12H,3,5,9-10H2,1-2H3