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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-benzylpiperazine-1-carbothioyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O2S2/c1-4-17-15(2)28-19(18(17)20(25)26-3)22-21(27)24-12-10-23(11-13-24)14-16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3,(H,22,27)