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

Systemtic Name: 2-[[5-[(Z)-N-(cyclopentylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(Z)-N-(cyclopentylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(1Z)-1-[[(cyclopentylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(Z)-N-(cyclopentylcarbamothioylamino)-C-methylcarbonimidoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(Z)-N-(cyclopentylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-methoxy-benzyl]thio]acetic acid Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S2/c1-12(20-21-18(25)19-15-5-3-4-6-15)13-7-8-16(24-2)14(9-13)10-26-11-17(22)23/h7-9,15H,3-6,10-11H2,1-2H3,(H,22,23)(H2,19,21,25)/b20-12-