N-butan-2-yl-5-(2-phenylsulfanylethanoylamino)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-butan-2-yl-5-(2-phenylsulfanylethanoylamino)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(2-phenylsulfanylacetyl)amino]-2-pyrrolidin-1-yl-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-5-[[1-oxo-2-(phenylthio)ethyl]amino]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-butan-2-yl-5-[(2-phenylsulfanylacetyl)amino]-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[[2-(phenylthio)acetyl]amino]-2-pyrrolidino-N-sec-butyl-benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-3-17(2)24-23(28)20-15-18(11-12-21(20)26-13-7-8-14-26)25-22(27)16-29-19-9-5-4-6-10-19/h4-6,9-12,15,17H,3,7-8,13-14,16H2,1-2H3,(H,24,28)(H,25,27)