ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-isopropylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(p-cumenylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C25H28N2O4S2/c1-6-31-24(28)22-19(17-9-12-20(29-4)21(13-17)30-5)14-33-23(22)27-25(32)26-18-10-7-16(8-11-18)15(2)3/h7-15H,6H2,1-5H3,(H2,26,27,32)