1-[2-(4-methylphenyl)sulfanylethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[2-(p-tolylsulfanyl)ethyl]thiourea CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[2-(4-methylphenyl)sulfanylethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[2-(p-tolylthio)ethyl]thiourea Formula: C17H28N3OS2+ MolecularWeight: 354.55372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C17H27N3OS2/c1-15-3-5-16(6-4-15)23-14-8-19-17(22)18-7-2-9-20-10-12-21-13-11-20/h3-6H,2,7-14H2,1H3,(H2,18,19,22)/p+1