2-chloranyl-3-cyclohexylcarbonyl-6-[[methoxy(methyl)carbamoyl]amino]benzenecarbothioic S-acid

Systemtic Name: 2-chloranyl-3-cyclohexylcarbonyl-6-[[methoxy(methyl)carbamoyl]amino]benzenecarbothioic S-acid Openeye Name: 2-chloro-3-(cyclohexanecarbonyl)-6-[[methoxy(methyl)carbamoyl]amino]benzenecarbothioic S-acid CAS Name: 2-chloro-3-[cyclohexyl(oxo)methyl]-6-[[[methoxy(methyl)amino]-oxomethyl]amino]benzenecarbothioic S-acid IUPAC Name: 2-chloro-3-(cyclohexanecarbonyl)-6-[[methoxy(methyl)carbamoyl]amino]benzenecarbothioic S-acid Traditional Name: 2-chloro-3-(cyclohexanecarbonyl)-6-[[methoxy(methyl)carbamoyl]amino]thiobenzoic acid Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)NC1=C(C(=C(C=C1)C(=O)C2CCCCC2)Cl)C(=O)S)OC

Isomeric SMILES

CN(C(=O)NC1=C(C(=C(C=C1)C(=O)C2CCCCC2)Cl)C(=O)S)OC

InChI

InChI=1S/C17H21ClN2O4S/c1-20(24-2)17(23)19-12-9-8-11(14(18)13(12)16(22)25)15(21)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,19,23)(H,22,25)