(2R)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylcarbamothioyl-propyl-amino]propanamide

Systemtic Name: (2R)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylcarbamothioyl-propyl-amino]propanamide Openeye Name: (2R)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylcarbamothioyl-propyl-amino]propanamide CAS Name: (2R)-N-(3-chlorophenyl)-2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-propylamino]propanamide IUPAC Name: (2R)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylcarbamothioyl-propylamino]propanamide Traditional Name: (2R)-N-(3-chlorophenyl)-2-[p-anisylthiocarbamoyl(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)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCN([C@H](C)C(=O)NC1=CC(=CC=C1)Cl)C(=S)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H26ClN3O2S/c1-4-12-25(15(2)20(26)24-18-7-5-6-17(22)13-18)21(28)23-14-16-8-10-19(27-3)11-9-16/h5-11,13,15H,4,12,14H2,1-3H3,(H,23,28)(H,24,26)/t15-/m1/s1