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

Systemtic Name: methyl 2-[(4-ethylpiperazin-1-yl)carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-ethylpiperazine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-ethyl-1-piperazinyl)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethylpiperazine-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-ethylpiperazine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCN1CCN(CC1)C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H23N3O2S2/c1-3-21-9-11-22(12-10-21)19(25)20-17-15(18(23)24-2)13-16(26-17)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,20,25)