1-[2-(5-ethyl-2,5-dimethyl-1,3-dioxan-2-yl)ethanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[2-(5-ethyl-2,5-dimethyl-1,3-dioxan-2-yl)ethanoylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-(5-ethyl-2,5-dimethyl-1,3-dioxan-2-yl)acetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-(5-ethyl-2,5-dimethyl-1,3-dioxan-2-yl)-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-(5-ethyl-2,5-dimethyl-1,3-dioxan-2-yl)acetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-(5-ethyl-2,5-dimethyl-1,3-dioxan-2-yl)acetyl]amino]-3-phenyl-thiourea Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COC(OC1)(C)CC(=O)NNC(=S)NC2=CC=CC=C2)C

Isomeric SMILES

CCC1(COC(OC1)(C)CC(=O)NNC(=S)NC2=CC=CC=C2)C

InChI

InChI=1S/C17H25N3O3S/c1-4-16(2)11-22-17(3,23-12-16)10-14(21)19-20-15(24)18-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H,19,21)(H2,18,20,24)