1-(2-methylphenyl)-3-(3-methylsulfanylpropylcarbamothioylamino)thiourea

Systemtic Name: 1-(2-methylphenyl)-3-(3-methylsulfanylpropylcarbamothioylamino)thiourea Openeye Name: 1-(3-methylsulfanylpropyl)-3-(o-tolylcarbamothioylamino)thiourea CAS Name: 1-[[(2-methylanilino)-sulfanylidenemethyl]amino]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-(2-methylphenyl)-3-(3-methylsulfanylpropylcarbamothioylamino)thiourea Traditional Name: 1-[3-(methylthio)propyl]-3-(o-tolylthiocarbamoylamino)thiourea Formula: C13H20N4S3 MolecularWeight: 328.5197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=S)NCCCSC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=S)NCCCSC

InChI

InChI=1S/C13H20N4S3/c1-10-6-3-4-7-11(10)15-13(19)17-16-12(18)14-8-5-9-20-2/h3-4,6-7H,5,8-9H2,1-2H3,(H2,14,16,18)(H2,15,17,19)