(2R)-2-[[4-(2,4-dimethylphenyl)sulfanylphenyl]amino]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[[4-(2,4-dimethylphenyl)sulfanylphenyl]amino]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[4-(2,4-dimethylphenyl)sulfanylanilino]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[4-[(2,4-dimethylphenyl)thio]anilino]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[4-(2,4-dimethylphenyl)sulfanylanilino]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[4-[(2,4-dimethylphenyl)thio]anilino]-1-pyrrolidino-propan-1-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(C)C(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)N[C@H](C)C(=O)N3CCCC3)C

InChI

InChI=1S/C21H26N2OS/c1-15-6-11-20(16(2)14-15)25-19-9-7-18(8-10-19)22-17(3)21(24)23-12-4-5-13-23/h6-11,14,17,22H,4-5,12-13H2,1-3H3/t17-/m1/s1