1-(3-methylsulfanylphenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]thiourea

Systemtic Name: 1-(3-methylsulfanylphenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]thiourea Openeye Name: 1-(3-methylsulfanylphenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]thiourea CAS Name: 1-[3-(methylthio)phenyl]-3-[[1-(1-phenylethyl)-3-pyrrolidin-1-iumyl]methyl]thiourea IUPAC Name: 1-(3-methylsulfanylphenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]thiourea Traditional Name: 1-[3-(methylthio)phenyl]-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]thiourea Formula: C21H28N3S2+ MolecularWeight: 386.59712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCC(C2)CNC(=S)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC(C1=CC=CC=C1)[NH+]2CCC(C2)CNC(=S)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H27N3S2/c1-16(18-7-4-3-5-8-18)24-12-11-17(15-24)14-22-21(25)23-19-9-6-10-20(13-19)26-2/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H2,22,23,25)/p+1