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

Systemtic Name: ethyl 5-(phenylmethyl)-2-[[4-(phenylmethyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-benzylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-benzylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-benzylpiperazine-1-carbothioyl)amino]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(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S2/c1-2-31-25(30)23-18-22(17-20-9-5-3-6-10-20)33-24(23)27-26(32)29-15-13-28(14-16-29)19-21-11-7-4-8-12-21/h3-12,18H,2,13-17,19H2,1H3,(H,27,32)