2-bromanyl-N-[1-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[1-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[[2-keto-2-(p-toluidino)ethyl]-methyl-carbamoyl]-3-(methylthio)propyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C22H26BrN3O3S/c1-15-8-10-16(11-9-15)24-20(27)14-26(2)22(29)19(12-13-30-3)25-21(28)17-6-4-5-7-18(17)23/h4-11,19H,12-14H2,1-3H3,(H,24,27)(H,25,28)