1-(3-methylbutyl)-3-[3-(3-methylphenoxy)propanoylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[3-(3-methylphenoxy)propanoylamino]thiourea Openeye Name: 1-isopentyl-3-[3-(3-methylphenoxy)propanoylamino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[3-(3-methylphenoxy)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[3-(3-methylphenoxy)propanoylamino]thiourea Traditional Name: 1-isoamyl-3-[3-(3-methylphenoxy)propanoylamino]thiourea Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S/c1-12(2)7-9-17-16(22)19-18-15(20)8-10-21-14-6-4-5-13(3)11-14/h4-6,11-12H,7-10H2,1-3H3,(H,18,20)(H2,17,19,22)