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

Systemtic Name: 2-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[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=C2C(=O)NC3CC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=CC=CC=C2C(=O)NC3CC3

InChI

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