1-(3-chlorophenyl)-3-[2-oxidanyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea

Systemtic Name: 1-(3-chlorophenyl)-3-[2-oxidanyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(3-chlorophenyl)-3-[2-hydroxy-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(3-chlorophenyl)-3-[2-hydroxy-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(3-chlorophenyl)-3-[2-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-(3-chlorophenyl)-3-[2-hydroxy-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]thiourea Formula: C19H27ClN4O2S MolecularWeight: 410.96128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4O2S/c20-14-6-5-7-15(12-14)21-19(27)22-16-8-1-2-11-24(18(16)26)13-17(25)23-9-3-4-10-23/h5-7,12,16,18,26H,1-4,8-11,13H2,(H2,21,22,27)