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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S/c31-26(20-33-23-11-5-2-6-12-23)29-22-13-14-25(30-17-7-8-18-30)24(19-22)27(32)28-16-15-21-9-3-1-4-10-21/h1-6,9-14,19H,7-8,15-18,20H2,(H,28,32)(H,29,31)