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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(4-phenylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C20H25N3O2S2/c1-4-16-14(2)27-18(17(16)19(24)25-3)21-20(26)23-12-10-22(11-13-23)15-8-6-5-7-9-15/h5-9H,4,10-13H2,1-3H3,(H,21,26)