methyl N'-[1-(phenylmethyl)piperidin-4-yl]-N-thiophen-2-ylsulfonyl-carbamimidothioate hydrochloride

Systemtic Name: methyl N'-[1-(phenylmethyl)piperidin-4-yl]-N-thiophen-2-ylsulfonyl-carbamimidothioate hydrochloride Openeye Name: 3-(1-benzyl-4-piperidyl)-2-methyl-1-(2-thienylsulfonyl)isothiourea hydrochloride CAS Name: N'-[1-(phenylmethyl)-4-piperidinyl]-N-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester hydrochloride IUPAC Name: methyl N'-(1-benzylpiperidin-4-yl)-N-thiophen-2-ylsulfonylcarbamimidothioate hydrochloride Traditional Name: 3-(1-benzyl-4-piperidyl)-2-methyl-1-(2-thienylsulfonyl)isothiourea hydrochloride Formula: C18H24ClN3O2S3 MolecularWeight: 446.05006

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC1CCN(CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3.Cl

Isomeric SMILES

CSC(=NC1CCN(CC1)CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CS3.Cl

InChI

InChI=1S/C18H23N3O2S3.ClH/c1-24-18(20-26(22,23)17-8-5-13-25-17)19-16-9-11-21(12-10-16)14-15-6-3-2-4-7-15;/h2-8,13,16H,9-12,14H2,1H3,(H,19,20);1H