(2S)-2-(4-bromophenyl)-2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethanamide

Systemtic Name: (2S)-2-(4-bromophenyl)-2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)ethanamide Openeye Name: (2S)-2-(4-bromophenyl)-2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)acetamide CAS Name: (2S)-2-(4-bromophenyl)-2-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]acetamide IUPAC Name: (2S)-2-(4-bromophenyl)-2-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)acetamide Traditional Name: (2S)-2-(4-bromophenyl)-2-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)acetamide Formula: C15H16BrN3OS MolecularWeight: 366.27604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)NC(=S)NC(C2=CC=C(C=C2)Br)C(=O)N

Isomeric SMILES

C1CC=C(C=C1)NC(=S)N[C@@H](C2=CC=C(C=C2)Br)C(=O)N

InChI

InChI=1S/C15H16BrN3OS/c16-11-8-6-10(7-9-11)13(14(17)20)19-15(21)18-12-4-2-1-3-5-12/h2,4-9,13H,1,3H2,(H2,17,20)(H2,18,19,21)/t13-/m0/s1