1-[[(2S,4S)-4-oxidanyl-2-(phenylmethyl)-5-propoxy-pentanoyl]amino]-3-phenyl-thiourea

Systemtic Name: 1-[[(2S,4S)-4-oxidanyl-2-(phenylmethyl)-5-propoxy-pentanoyl]amino]-3-phenyl-thiourea Openeye Name: 1-[[(2S,4S)-2-benzyl-4-hydroxy-5-propoxy-pentanoyl]amino]-3-phenyl-thiourea CAS Name: 1-[[(2S,4S)-4-hydroxy-1-oxo-2-(phenylmethyl)-5-propoxypentyl]amino]-3-phenylthiourea IUPAC Name: 1-[[(2S,4S)-2-benzyl-4-hydroxy-5-propoxypentanoyl]amino]-3-phenylthiourea Traditional Name: 1-[[(2S,4S)-2-benzyl-4-hydroxy-5-propoxy-pentanoyl]amino]-3-phenyl-thiourea Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC(CC(CC1=CC=CC=C1)C(=O)NNC(=S)NC2=CC=CC=C2)O

Isomeric SMILES

CCCOC[C@H](C[C@H](CC1=CC=CC=C1)C(=O)NNC(=S)NC2=CC=CC=C2)O

InChI

InChI=1S/C22H29N3O3S/c1-2-13-28-16-20(26)15-18(14-17-9-5-3-6-10-17)21(27)24-25-22(29)23-19-11-7-4-8-12-19/h3-12,18,20,26H,2,13-16H2,1H3,(H,24,27)(H2,23,25,29)/t18-,20-/m0/s1