4-(4-bromanylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-(4-bromanylphenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide Openeye Name: 4-(4-bromophenoxy)-N-[5-(m-tolylmethyl)thiazol-2-yl]butanamide CAS Name: 4-(4-bromophenoxy)-N-[5-[(3-methylphenyl)methyl]-2-thiazolyl]butanamide IUPAC Name: 4-(4-bromophenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(4-bromophenoxy)-N-[5-(3-methylbenzyl)thiazol-2-yl]butyramide Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)CCCOC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)CCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O2S/c1-15-4-2-5-16(12-15)13-19-14-23-21(27-19)24-20(25)6-3-11-26-18-9-7-17(22)8-10-18/h2,4-5,7-10,12,14H,3,6,11,13H2,1H3,(H,23,24,25)