ethyl 2-[1-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[1-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[1-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[1-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[1-(3,4-dimethoxyphenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC(C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC(C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H28N2O4S2/c1-5-31-24(28)20-15-19(13-17-9-7-6-8-10-17)33-23(20)27-25(32)26-16(2)18-11-12-21(29-3)22(14-18)30-4/h6-12,14-16H,5,13H2,1-4H3,(H2,26,27,32)