1-[4-[1-(3-methylsulfanylpropylamino)ethyl]phenyl]urea

Systemtic Name: 1-[4-[1-(3-methylsulfanylpropylamino)ethyl]phenyl]urea Openeye Name: [4-[1-(3-methylsulfanylpropylamino)ethyl]phenyl]urea CAS Name: [4-[1-[3-(methylthio)propylamino]ethyl]phenyl]urea IUPAC Name: [4-[1-(3-methylsulfanylpropylamino)ethyl]phenyl]urea Traditional Name: [4-[1-[3-(methylthio)propylamino]ethyl]phenyl]urea Formula: C13H21N3OS MolecularWeight: 267.39034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)N)NCCCSC

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)N)NCCCSC

InChI

InChI=1S/C13H21N3OS/c1-10(15-8-3-9-18-2)11-4-6-12(7-5-11)16-13(14)17/h4-7,10,15H,3,8-9H2,1-2H3,(H3,14,16,17)