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

Systemtic Name: N-(1-phenylethyl)-5-(2-phenylsulfanylethanoylamino)-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(1-phenylethyl)-5-[(2-phenylsulfanylacetyl)amino]-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[1-oxo-2-(phenylthio)ethyl]amino]-N-(1-phenylethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(1-phenylethyl)-5-[(2-phenylsulfanylacetyl)amino]-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(1-phenylethyl)-5-[[2-(phenylthio)acetyl]amino]-2-pyrrolidino-benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)CSC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)CSC3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C27H29N3O2S/c1-20(21-10-4-2-5-11-21)28-27(32)24-18-22(14-15-25(24)30-16-8-9-17-30)29-26(31)19-33-23-12-6-3-7-13-23/h2-7,10-15,18,20H,8-9,16-17,19H2,1H3,(H,28,32)(H,29,31)