1-(3-methylbutyl)-3-[3-(4-methylphenyl)sulfonylpropanoylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[3-(4-methylphenyl)sulfonylpropanoylamino]thiourea Openeye Name: 1-isopentyl-3-[3-(p-tolylsulfonyl)propanoylamino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[3-(4-methylphenyl)sulfonylpropanoylamino]thiourea Traditional Name: 1-isoamyl-3-(3-tosylpropanoylamino)thiourea Formula: C16H25N3O3S2 MolecularWeight: 371.518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S2/c1-12(2)8-10-17-16(23)19-18-15(20)9-11-24(21,22)14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,18,20)(H2,17,19,23)