N-[1-[(4-acetamidophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-bromanyl-benzamide

Systemtic Name: N-[1-[(4-acetamidophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-bromanyl-benzamide Openeye Name: N-[1-[(4-acetamidophenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-2-bromo-benzamide CAS Name: N-[1-[(4-acetamidophenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-2-bromobenzamide IUPAC Name: N-[1-[(4-acetamidophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-bromobenzamide Traditional Name: N-[1-[(4-acetamidobenzyl)carbamoyl]-3-(methylthio)propyl]-2-bromo-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H24BrN3O3S/c1-14(26)24-16-9-7-15(8-10-16)13-23-21(28)19(11-12-29-2)25-20(27)17-5-3-4-6-18(17)22/h3-10,19H,11-13H2,1-2H3,(H,23,28)(H,24,26)(H,25,27)