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

Systemtic Name: ethyl 2-[(3-methoxyphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(3-methoxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(3-methoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3-methoxyphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S2/c1-3-27-21(25)19-14-18(12-15-8-5-4-6-9-15)29-20(19)24-22(28)23-16-10-7-11-17(13-16)26-2/h4-11,13-14H,3,12H2,1-2H3,(H2,23,24,28)