methyl 4-cyano-3-methyl-5-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[(3-benzyloxybenzoyl)carbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[(3-phenylmethoxybenzoyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 5-[(3-benzoxybenzoyl)thiocarbamoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C23H19N3O4S2 MolecularWeight: 465.54466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H19N3O4S2/c1-14-18(12-24)21(32-19(14)22(28)29-2)26-23(31)25-20(27)16-9-6-10-17(11-16)30-13-15-7-4-3-5-8-15/h3-11H,13H2,1-2H3,(H2,25,26,27,31)