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

Systemtic Name: N-(3-methoxypropyl)-5-(2-phenylsulfanylethanoylamino)-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(3-methoxypropyl)-5-[(2-phenylsulfanylacetyl)amino]-2-pyrrolidin-1-yl-benzamide CAS Name: N-(3-methoxypropyl)-5-[[1-oxo-2-(phenylthio)ethyl]amino]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-methoxypropyl)-5-[(2-phenylsulfanylacetyl)amino]-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(3-methoxypropyl)-5-[[2-(phenylthio)acetyl]amino]-2-pyrrolidino-benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-29-15-7-12-24-23(28)20-16-18(10-11-21(20)26-13-5-6-14-26)25-22(27)17-30-19-8-3-2-4-9-19/h2-4,8-11,16H,5-7,12-15,17H2,1H3,(H,24,28)(H,25,27)