(2S,3S)-2-(aminocarbonylamino)-N-[4-(4-bromophenyl)sulfanylphenyl]-3-methyl-pentanamide

Systemtic Name: (2S,3S)-2-(aminocarbonylamino)-N-[4-(4-bromophenyl)sulfanylphenyl]-3-methyl-pentanamide Openeye Name: (2S,3S)-N-[4-(4-bromophenyl)sulfanylphenyl]-3-methyl-2-ureido-pentanamide CAS Name: (2S,3S)-N-[4-[(4-bromophenyl)thio]phenyl]-2-(carbamoylamino)-3-methylpentanamide IUPAC Name: (2S,3S)-N-[4-(4-bromophenyl)sulfanylphenyl]-2-(carbamoylamino)-3-methylpentanamide Traditional Name: (2S,3S)-N-[4-[(4-bromophenyl)thio]phenyl]-3-methyl-2-ureido-valeramide Formula: C19H22BrN3O2S MolecularWeight: 436.36588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)Br)NC(=O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)SC2=CC=C(C=C2)Br)NC(=O)N

InChI

InChI=1S/C19H22BrN3O2S/c1-3-12(2)17(23-19(21)25)18(24)22-14-6-10-16(11-7-14)26-15-8-4-13(20)5-9-15/h4-12,17H,3H2,1-2H3,(H,22,24)(H3,21,23,25)/t12-,17-/m0/s1