2-[5-[(Z)-N-[(4-ethoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]ethanoate

Systemtic Name: 2-[5-[(Z)-N-[(4-ethoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]ethanoate Openeye Name: 2-[5-[(Z)-N-[(4-ethoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetate CAS Name: 2-[5-[(1Z)-1-[[(4-ethoxyanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]acetate IUPAC Name: 2-[5-[(Z)-N-[(4-ethoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]-2-methoxyphenyl]acetate Traditional Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(p-phenetylthiocarbamoylamino)carbonimidoyl]phenyl]acetate Formula: C20H22N3O4S- MolecularWeight: 400.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NN=C(C)C2=CC(=C(C=C2)OC)CC(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N/N=C(/C)\C2=CC(=C(C=C2)OC)CC(=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-4-27-17-8-6-16(7-9-17)21-20(28)23-22-13(2)14-5-10-18(26-3)15(11-14)12-19(24)25/h5-11H,4,12H2,1-3H3,(H,24,25)(H2,21,23,28)/p-1/b22-13-