(2R)-2-[[4-(azepan-1-yl)phenyl]amino]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: (2R)-2-[[4-(azepan-1-yl)phenyl]amino]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: (2R)-2-[4-(azepan-1-yl)anilino]-N-(2-methylsulfanylphenyl)propanamide CAS Name: (2R)-2-[4-(1-azepanyl)anilino]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: (2R)-2-[4-(azepan-1-yl)anilino]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: (2R)-2-[4-(azepan-1-yl)anilino]-N-[2-(methylthio)phenyl]propionamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H29N3OS/c1-17(22(26)24-20-9-5-6-10-21(20)27-2)23-18-11-13-19(14-12-18)25-15-7-3-4-8-16-25/h5-6,9-14,17,23H,3-4,7-8,15-16H2,1-2H3,(H,24,26)/t17-/m1/s1