ethyl 4-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(naphthalen-1-ylmethyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H27N3O2S/c1-2-30-24(29)20-10-12-22(13-11-20)26-25(31)28-16-14-27(15-17-28)18-21-8-5-7-19-6-3-4-9-23(19)21/h3-13H,2,14-18H2,1H3,(H,26,31)