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

Systemtic Name: methyl 2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(naphthalen-1-ylmethyl)piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C28H27N3O2S2 MolecularWeight: 501.66288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O2S2/c1-33-27(32)24-18-25(21-9-3-2-4-10-21)35-26(24)29-28(34)31-16-14-30(15-17-31)19-22-12-7-11-20-8-5-6-13-23(20)22/h2-13,18H,14-17,19H2,1H3,(H,29,34)