2-bromanyl-N-[1-[[3-(cyclopropylcarbamoyl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[1-[[3-(cyclopropylcarbamoyl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[[3-(cyclopropylcarbamoyl)phenyl]carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[3-[(cyclopropylamino)-oxomethyl]anilino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[3-(cyclopropylcarbamoyl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[[3-(cyclopropylcarbamoyl)phenyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC(=C1)C(=O)NC2CC2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CSCCC(C(=O)NC1=CC=CC(=C1)C(=O)NC2CC2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H24BrN3O3S/c1-30-12-11-19(26-21(28)17-7-2-3-8-18(17)23)22(29)25-16-6-4-5-14(13-16)20(27)24-15-9-10-15/h2-8,13,15,19H,9-12H2,1H3,(H,24,27)(H,25,29)(H,26,28)