ethyl 2-(butylcarbamothioylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(butylcarbamothioylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(butylcarbamothioylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[butylamino(sulfanylidene)methyl]amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(butylcarbamothioylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-(butylthiocarbamoylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H26N2O4S2 MolecularWeight: 422.56144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=C(C(=CS1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC

Isomeric SMILES

CCCCNC(=S)NC1=C(C(=CS1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC

InChI

InChI=1S/C20H26N2O4S2/c1-5-7-10-21-20(27)22-18-17(19(23)26-6-2)14(12-28-18)13-8-9-15(24-3)16(11-13)25-4/h8-9,11-12H,5-7,10H2,1-4H3,(H2,21,22,27)