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

Systemtic Name: 2-bromanyl-N-[1-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[(2-methyl-4-pyrrolidin-1-yl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[2-methyl-4-(1-pyrrolidinyl)anilino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-(2-methyl-4-pyrrolidin-1-ylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[(2-methyl-4-pyrrolidino-phenyl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C23H28BrN3O2S MolecularWeight: 490.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C(CCSC)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C23H28BrN3O2S/c1-16-15-17(27-12-5-6-13-27)9-10-20(16)25-23(29)21(11-14-30-2)26-22(28)18-7-3-4-8-19(18)24/h3-4,7-10,15,21H,5-6,11-14H2,1-2H3,(H,25,29)(H,26,28)