1-[[(2S)-2-[(2S)-2-oxidanyl-3-propoxy-propyl]pent-4-enoyl]amino]-3-phenyl-thiourea

Systemtic Name: 1-[[(2S)-2-[(2S)-2-oxidanyl-3-propoxy-propyl]pent-4-enoyl]amino]-3-phenyl-thiourea Openeye Name: 1-[[(2S)-2-[(2S)-2-hydroxy-3-propoxy-propyl]pent-4-enoyl]amino]-3-phenyl-thiourea CAS Name: 1-[[(2S)-2-[(2S)-2-hydroxy-3-propoxypropyl]-1-oxopent-4-enyl]amino]-3-phenylthiourea IUPAC Name: 1-[[(2S)-2-[(2S)-2-hydroxy-3-propoxypropyl]pent-4-enoyl]amino]-3-phenylthiourea Traditional Name: 1-[[(2S)-2-[(2S)-2-hydroxy-3-propoxy-propyl]pent-4-enoyl]amino]-3-phenyl-thiourea Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S/c1-3-8-14(12-16(22)13-24-11-4-2)17(23)20-21-18(25)19-15-9-6-5-7-10-15/h3,5-7,9-10,14,16,22H,1,4,8,11-13H2,2H3,(H,20,23)(H2,19,21,25)/t14-,16-/m0/s1