4-chloranyl-3-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[(3-propoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[oxo-(3-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(3-propoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(3-propoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C18H17ClN2O4S/c1-2-8-25-13-5-3-4-11(9-13)16(22)21-18(26)20-15-10-12(17(23)24)6-7-14(15)19/h3-7,9-10H,2,8H2,1H3,(H,23,24)(H2,20,21,22,26)