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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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