(2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: (2S)-2-acetamido-3-(3-bromophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: (2S)-2-acetamido-3-[(3-bromophenyl)thio]-N-p-anisyl-propionamide Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC(=CC=C1)Br)C(=O)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H21BrN2O3S/c1-13(23)22-18(12-26-17-5-3-4-15(20)10-17)19(24)21-11-14-6-8-16(25-2)9-7-14/h3-10,18H,11-12H2,1-2H3,(H,21,24)(H,22,23)/t18-/m1/s1