1-(4-bromanyl-3-methyl-phenyl)-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-[3-(methylthio)propyl]thiourea Formula: C12H17BrN2S2 MolecularWeight: 333.31078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NCCCSC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NCCCSC)Br

InChI

InChI=1S/C12H17BrN2S2/c1-9-8-10(4-5-11(9)13)15-12(16)14-6-3-7-17-2/h4-5,8H,3,6-7H2,1-2H3,(H2,14,15,16)