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

Systemtic Name: ethyl 2-[(2,5-dimethoxyphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2,5-dimethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2,5-dimethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2,5-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=C(C=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

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