1-[[(2S)-2-[(2S)-3-butylsulfanyl-2-oxidanyl-propyl]-5-methyl-hexanoyl]amino]-3-phenyl-thiourea

Systemtic Name: 1-[[(2S)-2-[(2S)-3-butylsulfanyl-2-oxidanyl-propyl]-5-methyl-hexanoyl]amino]-3-phenyl-thiourea Openeye Name: 1-[[(2S)-2-[(2S)-3-butylsulfanyl-2-hydroxy-propyl]-5-methyl-hexanoyl]amino]-3-phenyl-thiourea CAS Name: 1-[[(2S)-2-[(2S)-3-(butylthio)-2-hydroxypropyl]-5-methyl-1-oxohexyl]amino]-3-phenylthiourea IUPAC Name: 1-[[(2S)-2-[(2S)-3-butylsulfanyl-2-hydroxypropyl]-5-methylhexanoyl]amino]-3-phenylthiourea Traditional Name: 1-[[(2S)-2-[(2S)-3-(butylthio)-2-hydroxy-propyl]-5-methyl-hexanoyl]amino]-3-phenyl-thiourea Formula: C21H35N3O2S2 MolecularWeight: 425.6515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCSC[C@H](C[C@H](CCC(C)C)C(=O)NNC(=S)NC1=CC=CC=C1)O

InChI

InChI=1S/C21H35N3O2S2/c1-4-5-13-28-15-19(25)14-17(12-11-16(2)3)20(26)23-24-21(27)22-18-9-7-6-8-10-18/h6-10,16-17,19,25H,4-5,11-15H2,1-3H3,(H,23,26)(H2,22,24,27)/t17-,19-/m0/s1