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

Systemtic Name: 1-[[(2S,4S)-5-butoxy-4-oxidanyl-2-(phenylmethyl)pentanoyl]amino]-3-phenyl-thiourea Openeye Name: 1-[[(2S,4S)-2-benzyl-5-butoxy-4-hydroxy-pentanoyl]amino]-3-phenyl-thiourea CAS Name: 1-[[(2S,4S)-5-butoxy-4-hydroxy-1-oxo-2-(phenylmethyl)pentyl]amino]-3-phenylthiourea IUPAC Name: 1-[[(2S,4S)-2-benzyl-5-butoxy-4-hydroxypentanoyl]amino]-3-phenylthiourea Traditional Name: 1-[[(2S,4S)-2-benzyl-5-butoxy-4-hydroxy-pentanoyl]amino]-3-phenyl-thiourea Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-2-3-14-29-17-21(27)16-19(15-18-10-6-4-7-11-18)22(28)25-26-23(30)24-20-12-8-5-9-13-20/h4-13,19,21,27H,2-3,14-17H2,1H3,(H,25,28)(H2,24,26,30)/t19-,21-/m0/s1