ethyl 2-[(3,5-dimethoxyphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3,5-dimethoxyphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(3,5-dimethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(3,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(3,5-dimethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3,5-dimethoxyphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H24N2O4S2/c1-4-29-22(26)20-14-19(10-15-8-6-5-7-9-15)31-21(20)25-23(30)24-16-11-17(27-2)13-18(12-16)28-3/h5-9,11-14H,4,10H2,1-3H3,(H2,24,25,30)