N-(3-chloranyl-4-propan-2-yloxy-phenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide

Systemtic Name: N-(3-chloranyl-4-propan-2-yloxy-phenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide Openeye Name: N-(3-chloro-4-isopropoxy-phenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-benzamide CAS Name: N-(3-chloro-4-propan-2-yloxyphenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzamide IUPAC Name: N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide Traditional Name: N-(3-chloro-4-isopropoxy-phenyl)-2-[(2-keto-2-pyrrolidino-ethyl)thio]benzamide Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)Cl

InChI

InChI=1S/C22H25ClN2O3S/c1-15(2)28-19-10-9-16(13-18(19)23)24-22(27)17-7-3-4-8-20(17)29-14-21(26)25-11-5-6-12-25/h3-4,7-10,13,15H,5-6,11-12,14H2,1-2H3,(H,24,27)