ethyl 4-[[(E)-(2,5-dimethoxyphenyl)methylideneamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(E)-(2,5-dimethoxyphenyl)methylideneamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(E)-(2,5-dimethoxyphenyl)methyleneamino]carbamothioylamino]benzoate CAS Name: 4-[[[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-(2,5-dimethoxyphenyl)methylideneamino]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-(2,5-dimethoxybenzylidene)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN=CC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-4-26-18(23)13-5-7-15(8-6-13)21-19(27)22-20-12-14-11-16(24-2)9-10-17(14)25-3/h5-12H,4H2,1-3H3,(H2,21,22,27)/b20-12+