2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)benzamide

Systemtic Name: 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)benzamide Openeye Name: 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)benzamide CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-N-[2-(1-pyrrolidinyl)phenyl]benzamide IUPAC Name: 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)benzamide Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]-N-(2-pyrrolidinophenyl)benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC2=CC=CC=C2N3CCCC3

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC2=CC=CC=C2N3CCCC3

InChI

InChI=1S/C22H27N3O2S/c1-16(2)23-21(26)15-28-20-12-6-3-9-17(20)22(27)24-18-10-4-5-11-19(18)25-13-7-8-14-25/h3-6,9-12,16H,7-8,13-15H2,1-2H3,(H,23,26)(H,24,27)