1-(4-fluorophenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(4-fluorophenyl)-3-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]thiourea Formula: C19H25FN4O2S MolecularWeight: 392.490803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=S)NC2=CC=C(C=C2)F)CC(=O)N3CCCC3

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=S)NC2=CC=C(C=C2)F)CC(=O)N3CCCC3

InChI

InChI=1S/C19H25FN4O2S/c20-14-6-8-15(9-7-14)21-19(27)22-16-5-1-2-12-24(18(16)26)13-17(25)23-10-3-4-11-23/h6-9,16H,1-5,10-13H2,(H2,21,22,27)