(2R)-N-(3-chlorophenyl)-2-[(4-ethoxyphenyl)carbamothioyl-propyl-amino]propanamide

Systemtic Name: (2R)-N-(3-chlorophenyl)-2-[(4-ethoxyphenyl)carbamothioyl-propyl-amino]propanamide Openeye Name: (2R)-N-(3-chlorophenyl)-2-[(4-ethoxyphenyl)carbamothioyl-propyl-amino]propanamide CAS Name: (2R)-N-(3-chlorophenyl)-2-[[(4-ethoxyanilino)-sulfanylidenemethyl]-propylamino]propanamide IUPAC Name: (2R)-N-(3-chlorophenyl)-2-[(4-ethoxyphenyl)carbamothioyl-propylamino]propanamide Traditional Name: (2R)-N-(3-chlorophenyl)-2-[p-phenetylthiocarbamoyl(propyl)amino]propionamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2S/c1-4-13-25(15(3)20(26)23-18-8-6-7-16(22)14-18)21(28)24-17-9-11-19(12-10-17)27-5-2/h6-12,14-15H,4-5,13H2,1-3H3,(H,23,26)(H,24,28)/t15-/m1/s1