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4-chloranyl-3-(3-phenylprop-2-enoylcarbamothioylamino)benzoic acid

4-chloranyl-3-(3-phenylprop-2-enoylcarbamothioylamino)benzoic acid

Systemtic Name:4-chloranyl-3-(3-phenylprop-2-enoylcarbamothioylamino)benzoic acid
Openeye Name:4-chloro-3-(3-phenylprop-2-enoylcarbamothioylamino)benzoic acid
CAS Name:4-chloro-3-[[[(1-oxo-3-phenylprop-2-enyl)amino]-sulfanylidenemethyl]amino]benzoic acid
IUPAC Name:4-chloro-3-(3-phenylprop-2-enoylcarbamothioylamino)benzoic acid
Traditional Name:4-chloro-3-(cinnamoylthiocarbamoylamino)benzoic acid
Formula: C17H13ClN2O3S
MolecularWeight: 360.81472
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl


Isomeric SMILES

C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl


InChI

InChI=1S/C17H13ClN2O3S/c18-13-8-7-12(16(22)23)10-14(13)19-17(24)20-15(21)9-6-11-4-2-1-3-5-11/h1-10H,(H,22,23)(H2,19,20,21,24)


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