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

Systemtic Name: ethyl 2-(2-dimethylaminoethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(2-dimethylaminoethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-dimethylaminoethylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(2-dimethylaminoethylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H23N3O2S2 MolecularWeight: 377.52412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCN(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCN(C)C

InChI

InChI=1S/C18H23N3O2S2/c1-4-23-17(22)14-12-15(13-8-6-5-7-9-13)25-16(14)20-18(24)19-10-11-21(2)3/h5-9,12H,4,10-11H2,1-3H3,(H2,19,20,24)