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

Systemtic Name: 4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]methyl]benzoate Openeye Name: 4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]methyl]benzoate CAS Name: 4-[[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]methyl]benzoate Traditional Name: 4-[[[(E)-3-phenylacryloyl]thiocarbamoylamino]methyl]benzoate Formula: C18H15N2O3S- MolecularWeight: 339.3883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC(=S)NCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H16N2O3S/c21-16(11-8-13-4-2-1-3-5-13)20-18(24)19-12-14-6-9-15(10-7-14)17(22)23/h1-11H,12H2,(H,22,23)(H2,19,20,21,24)/p-1/b11-8+