1-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dipropoxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-(4-cyanophenyl)thiourea

Systemtic Name: 1-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dipropoxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-(4-cyanophenyl)thiourea Openeye Name: 1-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dipropoxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-(4-cyanophenyl)thiourea CAS Name: 1-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dipropoxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-(4-cyanophenyl)thiourea IUPAC Name: 1-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dipropoxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-(4-cyanophenyl)thiourea Traditional Name: 1-[(3aR,5S,6S,6aR)-5-[(1R)-1,2-dipropoxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-(4-cyanophenyl)thiourea Formula: C23H33N3O5S MolecularWeight: 463.59022

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC(C1C(C2C(O1)OC(O2)(C)C)NC(=S)NC3=CC=C(C=C3)C#N)OCCC

Isomeric SMILES

CCCOC[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)NC(=S)NC3=CC=C(C=C3)C#N)OCCC

InChI

InChI=1S/C23H33N3O5S/c1-5-11-27-14-17(28-12-6-2)19-18(20-21(29-19)31-23(3,4)30-20)26-22(32)25-16-9-7-15(13-24)8-10-16/h7-10,17-21H,5-6,11-12,14H2,1-4H3,(H2,25,26,32)/t17-,18+,19-,20-,21-/m1/s1