N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-phenylethanoylamino)propanamide

Systemtic Name: N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-3-(2-phenylethanoylamino)propanamide Openeye Name: N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide CAS Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-2-thiazolyl]-3-[(1-oxo-2-phenylethyl)amino]propanamide IUPAC Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide Traditional Name: N-[5-(3-chloro-4-methyl-benzyl)thiazol-2-yl]-3-[(2-phenylacetyl)amino]propionamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)CCNC(=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)CCNC(=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-15-7-8-17(12-19(15)23)11-18-14-25-22(29-18)26-20(27)9-10-24-21(28)13-16-5-3-2-4-6-16/h2-8,12,14H,9-11,13H2,1H3,(H,24,28)(H,25,26,27)