N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(methylthio)-2-(tosylamino)butyramide Formula: C21H25N3O4S3 MolecularWeight: 479.6359

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(CCSC)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3O4S3/c1-4-28-15-7-10-17-19(13-15)30-21(22-17)23-20(25)18(11-12-29-3)24-31(26,27)16-8-5-14(2)6-9-16/h5-10,13,18,24H,4,11-12H2,1-3H3,(H,22,23,25)