N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(2-thienylsulfonyl)propanoylamino]benzamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[(1-oxo-3-thiophen-2-ylsulfonylpropyl)amino]benzamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(2-thienylsulfonyl)propanoylamino]benzamide Formula: C22H19N3O4S3 MolecularWeight: 485.59896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H19N3O4S3/c1-14-4-9-17-18(13-14)31-22(24-17)25-21(27)15-5-7-16(8-6-15)23-19(26)10-12-32(28,29)20-3-2-11-30-20/h2-9,11,13H,10,12H2,1H3,(H,23,26)(H,24,25,27)