(2R)-N-(3-chlorophenyl)-2-[(2,5-dimethylphenyl)carbamothioyl-propyl-amino]propanamide

Systemtic Name: (2R)-N-(3-chlorophenyl)-2-[(2,5-dimethylphenyl)carbamothioyl-propyl-amino]propanamide Openeye Name: (2R)-N-(3-chlorophenyl)-2-[(2,5-dimethylphenyl)carbamothioyl-propyl-amino]propanamide CAS Name: (2R)-N-(3-chlorophenyl)-2-[[(2,5-dimethylanilino)-sulfanylidenemethyl]-propylamino]propanamide IUPAC Name: (2R)-N-(3-chlorophenyl)-2-[(2,5-dimethylphenyl)carbamothioyl-propylamino]propanamide Traditional Name: (2R)-N-(3-chlorophenyl)-2-[(2,5-dimethylphenyl)thiocarbamoyl-propyl-amino]propionamide Formula: C21H26ClN3OS MolecularWeight: 403.96864

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(C)C(=O)NC1=CC(=CC=C1)Cl)C(=S)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCN([C@H](C)C(=O)NC1=CC(=CC=C1)Cl)C(=S)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H26ClN3OS/c1-5-11-25(21(27)24-19-12-14(2)9-10-15(19)3)16(4)20(26)23-18-8-6-7-17(22)13-18/h6-10,12-13,16H,5,11H2,1-4H3,(H,23,26)(H,24,27)/t16-/m1/s1