ethyl 5-methyl-2-[(2-methyl-6-propan-2-yl-phenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[(2-methyl-6-propan-2-yl-phenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-isopropyl-6-methyl-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(2-methyl-6-propan-2-ylanilino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-isopropyl-6-methyl-phenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C=CC=C3C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=C(C=CC=C3C(C)C)C

InChI

InChI=1S/C25H28N2O2S2/c1-6-29-24(28)21-20(18-12-8-7-9-13-18)17(5)31-23(21)27-25(30)26-22-16(4)11-10-14-19(22)15(2)3/h7-15H,6H2,1-5H3,(H2,26,27,30)