1-(4-ethanoylphenyl)-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]thiourea

Systemtic Name: 1-(4-ethanoylphenyl)-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]thiourea Openeye Name: 1-(4-acetylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[3-(2-oxo-1-pyrrolidinyl)propyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[3-(2-ketopyrrolidino)propyl]thiourea Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCCC2=O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2CCCC2=O

InChI

InChI=1S/C16H21N3O2S/c1-12(20)13-5-7-14(8-6-13)18-16(22)17-9-3-11-19-10-2-4-15(19)21/h5-8H,2-4,9-11H2,1H3,(H2,17,18,22)