1-(3-methylsulfanylpropyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(3-methylsulfanylpropyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(3-methylsulfanylpropyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-[3-(methylthio)propyl]-3-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-methylsulfanylpropyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-[3-(methylthio)propyl]-3-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C17H28N3S2+ MolecularWeight: 338.55432

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NCC1=CC=CC=C1C[NH+]2CCCC2

Isomeric SMILES

CSCCCNC(=S)NCC1=CC=CC=C1C[NH+]2CCCC2

InChI

InChI=1S/C17H27N3S2/c1-22-12-6-9-18-17(21)19-13-15-7-2-3-8-16(15)14-20-10-4-5-11-20/h2-3,7-8H,4-6,9-14H2,1H3,(H2,18,19,21)/p+1