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

Systemtic Name: methyl 5-methyl-2-[(4-phenoxyphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(4-phenoxyphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-phenoxyphenyl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-phenoxyphenyl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H22N2O3S2 MolecularWeight: 474.59448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O3S2/c1-17-22(18-9-5-3-6-10-18)23(25(29)30-2)24(33-17)28-26(32)27-19-13-15-21(16-14-19)31-20-11-7-4-8-12-20/h3-16H,1-2H3,(H2,27,28,32)