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

Systemtic Name: 3-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Openeye Name: 3-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide CAS Name: 3-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide IUPAC Name: 3-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide Traditional Name: 3-butoxy-N-(6-mesyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]benzamide Formula: C25H26N2O4S3 MolecularWeight: 514.67994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H26N2O4S3/c1-3-4-14-31-19-8-5-7-18(16-19)24(28)27(13-12-20-9-6-15-32-20)25-26-22-11-10-21(34(2,29)30)17-23(22)33-25/h5-11,15-17H,3-4,12-14H2,1-2H3