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

Systemtic Name: ethyl 2-[(2-ethoxyphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2-ethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2-ethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(o-phenetylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H24N2O3S2/c1-3-27-20-13-9-8-12-19(20)24-23(29)25-21-18(22(26)28-4-2)15-17(30-21)14-16-10-6-5-7-11-16/h5-13,15H,3-4,14H2,1-2H3,(H2,24,25,29)