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

Systemtic Name: methyl 5-methyl-2-[(1-methylpiperidin-4-yl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(1-methyl-4-piperidyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(1-methyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(1-methylpiperidin-4-yl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(1-methyl-4-piperidyl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2CCN(CC2)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2CCN(CC2)C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S2/c1-13-16(14-7-5-4-6-8-14)17(19(24)25-3)18(27-13)22-20(26)21-15-9-11-23(2)12-10-15/h4-8,15H,9-12H2,1-3H3,(H2,21,22,26)