butyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]benzoate

Systemtic Name: butyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2,5-dimethoxyphenyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C20H24N2O4S/c1-4-5-12-26-19(23)14-6-8-15(9-7-14)21-20(27)22-17-13-16(24-2)10-11-18(17)25-3/h6-11,13H,4-5,12H2,1-3H3,(H2,21,22,27)