N-(2-aminophenyl)-4-[(3S)-3-pyridin-2-ylsulfanylpyrrolidin-1-yl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[(3S)-3-pyridin-2-ylsulfanylpyrrolidin-1-yl]benzamide Openeye Name: N-(2-aminophenyl)-4-[(3S)-3-(2-pyridylsulfanyl)pyrrolidin-1-yl]benzamide CAS Name: N-(2-aminophenyl)-4-[(3S)-3-(2-pyridinylthio)-1-pyrrolidinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[(3S)-3-pyridin-2-ylsulfanylpyrrolidin-1-yl]benzamide Traditional Name: N-(2-aminophenyl)-4-[(3S)-3-(2-pyridylthio)pyrrolidino]benzamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1SC2=CC=CC=N2)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

C1CN(C[C@H]1SC2=CC=CC=N2)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C22H22N4OS/c23-19-5-1-2-6-20(19)25-22(27)16-8-10-17(11-9-16)26-14-12-18(15-26)28-21-7-3-4-13-24-21/h1-11,13,18H,12,14-15,23H2,(H,25,27)/t18-/m0/s1