2-bromanyl-N-[1-[2-(2-methylpropanoylamino)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[1-[2-(2-methylpropanoylamino)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[2-(2-methylpropanoylamino)ethylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[2-[(2-methyl-1-oxopropyl)amino]ethylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[2-(2-methylpropanoylamino)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[2-(isobutyrylamino)ethylcarbamoyl]-3-(methylthio)propyl]benzamide Formula: C18H26BrN3O3S MolecularWeight: 444.38634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C18H26BrN3O3S/c1-12(2)16(23)20-9-10-21-18(25)15(8-11-26-3)22-17(24)13-6-4-5-7-14(13)19/h4-7,12,15H,8-11H2,1-3H3,(H,20,23)(H,21,25)(H,22,24)