1-(3-methylbutyl)-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea Openeye Name: 1-isopentyl-3-[[(2R)-2-(p-tolylsulfanyl)propanoyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[(2R)-2-[(4-methylphenyl)thio]-1-oxopropyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[(2R)-2-(p-tolylthio)propanoyl]amino]thiourea Formula: C16H25N3OS2 MolecularWeight: 339.5192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)NNC(=S)NCCC(C)C

InChI

InChI=1S/C16H25N3OS2/c1-11(2)9-10-17-16(21)19-18-15(20)13(4)22-14-7-5-12(3)6-8-14/h5-8,11,13H,9-10H2,1-4H3,(H,18,20)(H2,17,19,21)/t13-/m1/s1