1-(3-methylbutyl)-3-[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]thiourea Openeye Name: 1-isopentyl-3-[[2-(p-tolylmethylsulfanyl)acetyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[2-[(4-methylphenyl)methylthio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[2-[(4-methylbenzyl)thio]acetyl]amino]thiourea Formula: C16H25N3OS2 MolecularWeight: 339.5192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)NNC(=S)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)NNC(=S)NCCC(C)C

InChI

InChI=1S/C16H25N3OS2/c1-12(2)8-9-17-16(21)19-18-15(20)11-22-10-14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,18,20)(H2,17,19,21)