N-(3-ethoxypropyl)-5-(2-phenylsulfanylethanoylamino)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(3-ethoxypropyl)-5-(2-phenylsulfanylethanoylamino)-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(3-ethoxypropyl)-5-[(2-phenylsulfanylacetyl)amino]-2-pyrrolidin-1-yl-benzamide CAS Name: N-(3-ethoxypropyl)-5-[[1-oxo-2-(phenylthio)ethyl]amino]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-ethoxypropyl)-5-[(2-phenylsulfanylacetyl)amino]-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(3-ethoxypropyl)-5-[[2-(phenylthio)acetyl]amino]-2-pyrrolidino-benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C24H31N3O3S/c1-2-30-16-8-13-25-24(29)21-17-19(11-12-22(21)27-14-6-7-15-27)26-23(28)18-31-20-9-4-3-5-10-20/h3-5,9-12,17H,2,6-8,13-16,18H2,1H3,(H,25,29)(H,26,28)