4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-N-(1,3-thiazol-2-yl)benzamide

Systemtic Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-N-(1,3-thiazol-2-yl)benzamide Openeye Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-N-thiazol-2-yl-benzamide CAS Name: 4-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]-N-(2-thiazolyl)benzamide IUPAC Name: 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-N-(1,3-thiazol-2-yl)benzamide Traditional Name: 4-[3-[(3,4-dimethylphenyl)thio]propanoylamino]-N-thiazol-2-yl-benzamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)C(=O)NC3=NC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)C(=O)NC3=NC=CS3)C

InChI

InChI=1S/C21H21N3O2S2/c1-14-3-8-18(13-15(14)2)27-11-9-19(25)23-17-6-4-16(5-7-17)20(26)24-21-22-10-12-28-21/h3-8,10,12-13H,9,11H2,1-2H3,(H,23,25)(H,22,24,26)