methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-3-(4-bromophenyl)acryloyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O3S/c1-24-17(23)13-5-9-15(10-6-13)20-18(25)21-16(22)11-4-12-2-7-14(19)8-3-12/h2-11H,1H3,(H2,20,21,22,25)/b11-4+