methyl 2-(2-dimethylaminoethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-dimethylaminoethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(2-dimethylaminoethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-dimethylaminoethylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(2-dimethylaminoethylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C17H21N3O2S2 MolecularWeight: 363.49754

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN(C)CCNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H21N3O2S2/c1-20(2)10-9-18-17(23)19-15-13(16(21)22-3)11-14(24-15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H2,18,19,23)