ethyl 5-methyl-4-phenyl-2-(piperidin-1-ylcarbothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-(piperidin-1-ylcarbothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-(piperidine-1-carbothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[1-piperidinyl(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-(piperidine-1-carbothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(piperidine-1-carbothioylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCCCC3

InChI

InChI=1S/C20H24N2O2S2/c1-3-24-19(23)17-16(15-10-6-4-7-11-15)14(2)26-18(17)21-20(25)22-12-8-5-9-13-22/h4,6-7,10-11H,3,5,8-9,12-13H2,1-2H3,(H,21,25)