methyl N'-(naphthalen-1-ylmethyl)-N-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methyl]carbamimidothioate

Systemtic Name: methyl N'-(naphthalen-1-ylmethyl)-N-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methyl]carbamimidothioate Openeye Name: 2-methyl-3-(1-naphthylmethyl)-1-[[1-(1-naphthylsulfonyl)-4-piperidyl]methyl]isothiourea CAS Name: N'-(1-naphthalenylmethyl)-N-[[1-(1-naphthalenylsulfonyl)-4-piperidinyl]methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(naphthalen-1-ylmethyl)-N-[(1-naphthalen-1-ylsulfonylpiperidin-4-yl)methyl]carbamimidothioate Traditional Name: 2-methyl-3-(1-naphthylmethyl)-1-[[1-(1-naphthylsulfonyl)-4-piperidyl]methyl]isothiourea Formula: C29H31N3O2S2 MolecularWeight: 517.70534

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=CC2=CC=CC=C21)NCC3CCN(CC3)S(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CSC(=NCC1=CC=CC2=CC=CC=C21)NCC3CCN(CC3)S(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H31N3O2S2/c1-35-29(31-21-25-12-6-10-23-8-2-4-13-26(23)25)30-20-22-16-18-32(19-17-22)36(33,34)28-15-7-11-24-9-3-5-14-27(24)28/h2-15,22H,16-21H2,1H3,(H,30,31)