methyl (1S,4R)-4-[(4-bromophenyl)carbamothioylamino]cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1S,4R)-4-[(4-bromophenyl)carbamothioylamino]cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1S,4R)-4-[(4-bromophenyl)carbamothioylamino]cyclohex-2-ene-1-carboxylate CAS Name: (1S,4R)-4-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,4R)-4-[(4-bromophenyl)carbamothioylamino]cyclohex-2-ene-1-carboxylate Traditional Name: (1S,4R)-4-[(4-bromophenyl)thiocarbamoylamino]cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C15H17BrN2O2S MolecularWeight: 369.27668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(C=C1)NC(=S)NC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)[C@H]1CC[C@H](C=C1)NC(=S)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H17BrN2O2S/c1-20-14(19)10-2-6-12(7-3-10)17-15(21)18-13-8-4-11(16)5-9-13/h2,4-6,8-10,12H,3,7H2,1H3,(H2,17,18,21)/t10-,12+/m1/s1