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

Systemtic Name: methyl 5-methyl-4-phenyl-2-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzyloxyphenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(4-benzoxyphenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H24N2O3S2 MolecularWeight: 488.62106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

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