2-[2-methoxy-5-[(Z)-N-[(4-methoxyphenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-methoxy-5-[(Z)-N-[(4-methoxyphenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]phenyl]ethanoic acid Openeye Name: 2-[2-methoxy-5-[(Z)-N-[(4-methoxyphenyl)methylcarbamothioylamino]-C-methyl-carbonimidoyl]phenyl]acetic acid CAS Name: 2-[2-methoxy-5-[(1Z)-1-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]acetic acid IUPAC Name: 2-[2-methoxy-5-[(Z)-N-[(4-methoxyphenyl)methylcarbamothioylamino]-C-methylcarbonimidoyl]phenyl]acetic acid Traditional Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(p-anisylthiocarbamoylamino)carbonimidoyl]phenyl]acetic acid Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC=C(C=C1)OC)C2=CC(=C(C=C2)OC)CC(=O)O

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC=C(C=C1)OC)/C2=CC(=C(C=C2)OC)CC(=O)O

InChI

InChI=1S/C20H23N3O4S/c1-13(15-6-9-18(27-3)16(10-15)11-19(24)25)22-23-20(28)21-12-14-4-7-17(26-2)8-5-14/h4-10H,11-12H2,1-3H3,(H,24,25)(H2,21,23,28)/b22-13-