ethyl 5-methyl-2-[(3-methylpiperidin-1-yl)carbothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[(3-methylpiperidin-1-yl)carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(3-methylpiperidine-1-carbothioyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(3-methyl-1-piperidinyl)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(3-methylpiperidine-1-carbothioyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(3-methylpiperidine-1-carbothioyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O2S2 MolecularWeight: 402.57334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCCC(C3)C

InChI

InChI=1S/C21H26N2O2S2/c1-4-25-20(24)18-17(16-10-6-5-7-11-16)15(3)27-19(18)22-21(26)23-12-8-9-14(2)13-23/h5-7,10-11,14H,4,8-9,12-13H2,1-3H3,(H,22,26)