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

Systemtic Name: 2-[5-[(Z)-N-(cyclopentylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]ethanoic acid Openeye Name: 2-[5-[(Z)-N-(cyclopentylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetic acid CAS Name: 2-[5-[(1Z)-1-[[(cyclopentylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]acetic acid IUPAC Name: 2-[5-[(Z)-N-(cyclopentylcarbamothioylamino)-C-methylcarbonimidoyl]-2-methoxyphenyl]acetic acid Traditional Name: 2-[5-[(Z)-N-(cyclopentylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetic acid Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1CCCC1)C2=CC(=C(C=C2)OC)CC(=O)O

Isomeric SMILES

C/C(=N/NC(=S)NC1CCCC1)/C2=CC(=C(C=C2)OC)CC(=O)O

InChI

InChI=1S/C17H23N3O3S/c1-11(19-20-17(24)18-14-5-3-4-6-14)12-7-8-15(23-2)13(9-12)10-16(21)22/h7-9,14H,3-6,10H2,1-2H3,(H,21,22)(H2,18,20,24)/b19-11-