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

Systemtic Name: methyl 5-methyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H23N3O2S2/c1-14-12-16(18(23)24-2)17(26-14)20-19(25)22-10-8-21(9-11-22)13-15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3,(H,20,25)