1-[(3R)-2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-phenethyl-3-phenyl-thiourea

Systemtic Name: 1-[(3R)-2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-phenethyl-3-phenyl-thiourea Openeye Name: 1-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-phenethyl-3-phenyl-thiourea CAS Name: 1-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]-1-phenethyl-3-phenylthiourea IUPAC Name: 1-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-phenethyl-3-phenylthiourea Traditional Name: 1-[(3R)-2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-1-phenethyl-3-phenyl-thiourea Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)N(CCC3=CC=CC=C3)C(=S)NC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)N(CCC3=CC=CC=C3)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3S/c1-2-19-34-24-15-13-23(14-16-24)31-26(32)20-25(27(31)33)30(18-17-21-9-5-3-6-10-21)28(35)29-22-11-7-4-8-12-22/h3-16,25H,2,17-20H2,1H3,(H,29,35)/t25-/m1/s1