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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCN1CCC(CC1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

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