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

Systemtic Name: methyl 2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C29H29N3O2S2 MolecularWeight: 515.68946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H29N3O2S2/c1-34-28(33)26-19-24(18-21-8-3-2-4-9-21)36-27(26)30-29(35)32-16-14-31(15-17-32)20-23-12-7-11-22-10-5-6-13-25(22)23/h2-13,19H,14-18,20H2,1H3,(H,30,35)