2-[5-[(Z)-N-(cyclohexylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[5-[(Z)-N-(cyclohexylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]ethanoic acid Openeye Name: 2-[5-[(Z)-N-(cyclohexylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetic acid CAS Name: 2-[5-[(1Z)-1-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]acetic acid IUPAC Name: 2-[5-[(Z)-N-(cyclohexylcarbamothioylamino)-C-methylcarbonimidoyl]-2-methoxyphenyl]acetic acid Traditional Name: 2-[5-[(Z)-N-(cyclohexylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetic acid Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1CCCCC1)C2=CC(=C(C=C2)OC)CC(=O)O

Isomeric SMILES

C/C(=N/NC(=S)NC1CCCCC1)/C2=CC(=C(C=C2)OC)CC(=O)O

InChI

InChI=1S/C18H25N3O3S/c1-12(20-21-18(25)19-15-6-4-3-5-7-15)13-8-9-16(24-2)14(10-13)11-17(22)23/h8-10,15H,3-7,11H2,1-2H3,(H,22,23)(H2,19,21,25)/b20-12-