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

Systemtic Name: methyl 5-methyl-2-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzyloxyphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(4-benzoxyphenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O3S2/c1-14-12-18(20(24)25-2)19(28-14)23-21(27)22-16-8-10-17(11-9-16)26-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,22,23,27)