1-[[5-methyl-2-(2-oxidanylpropyl)hexanoyl]amino]-3-phenyl-thiourea

Systemtic Name: 1-[[5-methyl-2-(2-oxidanylpropyl)hexanoyl]amino]-3-phenyl-thiourea Openeye Name: 1-[[2-(2-hydroxypropyl)-5-methyl-hexanoyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-(2-hydroxypropyl)-5-methyl-1-oxohexyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-(2-hydroxypropyl)-5-methylhexanoyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-(2-hydroxypropyl)-5-methyl-hexanoyl]amino]-3-phenyl-thiourea Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC(C)O)C(=O)NNC(=S)NC1=CC=CC=C1

Isomeric SMILES

CC(C)CCC(CC(C)O)C(=O)NNC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C17H27N3O2S/c1-12(2)9-10-14(11-13(3)21)16(22)19-20-17(23)18-15-7-5-4-6-8-15/h4-8,12-14,21H,9-11H2,1-3H3,(H,19,22)(H2,18,20,23)