3-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

InChI

InChI=1S/C20H21BrN2O2S/c1-12-9-18(13(2)8-17(12)21)26-11-19(24)22-16-5-3-4-14(10-16)20(25)23-15-6-7-15/h3-5,8-10,15H,6-7,11H2,1-2H3,(H,22,24)(H,23,25)