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

Systemtic Name: methyl 5-methyl-4-phenyl-2-(piperidin-1-ylcarbothioylamino)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCCCC2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCCCC2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O2S2/c1-13-15(14-9-5-3-6-10-14)16(18(22)23-2)17(25-13)20-19(24)21-11-7-4-8-12-21/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,20,24)