2-chloranyl-5-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate

Systemtic Name: 2-chloranyl-5-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate Openeye Name: 2-chloro-5-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate CAS Name: 2-chloro-5-[[[[(E)-3-(2,4-dichlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-chloro-5-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]carbamothioylamino]benzoate Traditional Name: 2-chloro-5-[[(E)-3-(2,4-dichlorophenyl)acryloyl]thiocarbamoylamino]benzoate Formula: C17H10Cl3N2O3S- MolecularWeight: 428.6969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)C(=O)[O-])Cl

InChI

InChI=1S/C17H11Cl3N2O3S/c18-10-3-1-9(14(20)7-10)2-6-15(23)22-17(26)21-11-4-5-13(19)12(8-11)16(24)25/h1-8H,(H,24,25)(H2,21,22,23,26)/p-1/b6-2+