methyl (E)-3-azanyl-2-[(4-chlorophenyl)carbamothioyl]but-2-enoate

Systemtic Name: methyl (E)-3-azanyl-2-[(4-chlorophenyl)carbamothioyl]but-2-enoate Openeye Name: methyl (E)-3-amino-2-[(4-chlorophenyl)carbamothioyl]but-2-enoate CAS Name: (E)-3-amino-2-[(4-chloroanilino)-sulfanylidenemethyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-amino-2-[(4-chlorophenyl)carbamothioyl]but-2-enoate Traditional Name: (E)-3-amino-2-[(4-chlorophenyl)thiocarbamoyl]but-2-enoic acid methyl ester Formula: C12H13ClN2O2S MolecularWeight: 284.76182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=S)NC1=CC=C(C=C1)Cl)C(=O)OC)N

Isomeric SMILES

C/C(=C(\C(=S)NC1=CC=C(C=C1)Cl)/C(=O)OC)/N

InChI

InChI=1S/C12H13ClN2O2S/c1-7(14)10(12(16)17-2)11(18)15-9-5-3-8(13)4-6-9/h3-6H,14H2,1-2H3,(H,15,18)/b10-7-