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

Systemtic Name: 1-(3-ethanoylphenyl)-3-[2-oxidanyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea Openeye Name: 1-(3-acetylphenyl)-3-[2-hydroxy-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]thiourea CAS Name: 1-(3-acetylphenyl)-3-[2-hydroxy-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-[2-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea Traditional Name: 1-(3-acetylphenyl)-3-[2-hydroxy-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]thiourea Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NC2CCCCN(C2O)CC(=O)N3CCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NC2CCCCN(C2O)CC(=O)N3CCCC3

InChI

InChI=1S/C21H30N4O3S/c1-15(26)16-7-6-8-17(13-16)22-21(29)23-18-9-2-3-12-25(20(18)28)14-19(27)24-10-4-5-11-24/h6-8,13,18,20,28H,2-5,9-12,14H2,1H3,(H2,22,23,29)