N-(4-bromanyl-2-methyl-phenyl)-2-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[[2-keto-2-(m-toluidino)ethyl]thio]acetyl]amino]acetamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C20H22BrN3O3S/c1-13-4-3-5-16(8-13)23-20(27)12-28-11-19(26)22-10-18(25)24-17-7-6-15(21)9-14(17)2/h3-9H,10-12H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)