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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S2/c1-3-31-25(30)23-22(21-12-8-5-9-13-21)19(2)33-24(23)27-26(32)29-16-14-28(15-17-29)18-20-10-6-4-7-11-20/h4-13H,3,14-18H2,1-2H3,(H,27,32)