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

Systemtic Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-(propan-2-ylcarbamothioylamino)carbonimidoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(Z)-N-(isopropylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(1Z)-1-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(Z)-C-methyl-N-(propan-2-ylcarbamothioylamino)carbonimidoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(Z)-N-(isopropylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-methoxy-benzyl]thio]acetic acid Formula: C16H23N3O3S2 MolecularWeight: 369.50212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NN=C(C)C1=CC(=C(C=C1)OC)CSCC(=O)O

Isomeric SMILES

CC(C)NC(=S)N/N=C(/C)\C1=CC(=C(C=C1)OC)CSCC(=O)O

InChI

InChI=1S/C16H23N3O3S2/c1-10(2)17-16(23)19-18-11(3)12-5-6-14(22-4)13(7-12)8-24-9-15(20)21/h5-7,10H,8-9H2,1-4H3,(H,20,21)(H2,17,19,23)/b18-11-