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

Systemtic Name: ethyl 2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C30H31N3O2S2 MolecularWeight: 529.71604

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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=CC5=CC=CC=C54

Isomeric SMILES

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

InChI

InChI=1S/C30H31N3O2S2/c1-2-35-29(34)27-20-25(19-22-9-4-3-5-10-22)37-28(27)31-30(36)33-17-15-32(16-18-33)21-24-13-8-12-23-11-6-7-14-26(23)24/h3-14,20H,2,15-19,21H2,1H3,(H,31,36)