ethyl 2-[(4-phenoxyphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-phenoxyphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-phenoxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-phenoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-phenoxyphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H24N2O3S2 MolecularWeight: 488.62106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O3S2/c1-2-31-26(30)24-18-23(17-19-9-5-3-6-10-19)34-25(24)29-27(33)28-20-13-15-22(16-14-20)32-21-11-7-4-8-12-21/h3-16,18H,2,17H2,1H3,(H2,28,29,33)