propyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate Openeye Name: propyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoate Traditional Name: 4-(homoveratrylthiocarbamoylamino)benzoic acid propyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H26N2O4S/c1-4-13-27-20(24)16-6-8-17(9-7-16)23-21(28)22-12-11-15-5-10-18(25-2)19(14-15)26-3/h5-10,14H,4,11-13H2,1-3H3,(H2,22,23,28)