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

Systemtic Name: 5-(2-phenylsulfanylethanoylamino)-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-[(2-phenylsulfanylacetyl)amino]-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[1-oxo-2-(phenylthio)ethyl]amino]-N-(3-pyridinylmethyl)-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-[(2-phenylsulfanylacetyl)amino]-N-(pyridin-3-ylmethyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-[[2-(phenylthio)acetyl]amino]-N-(3-pyridylmethyl)-2-pyrrolidino-benzamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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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)NCC4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H26N4O2S/c30-24(18-32-21-8-2-1-3-9-21)28-20-10-11-23(29-13-4-5-14-29)22(15-20)25(31)27-17-19-7-6-12-26-16-19/h1-3,6-12,15-16H,4-5,13-14,17-18H2,(H,27,31)(H,28,30)