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

Systemtic Name: N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide Openeye Name: N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-1-benzoxepine-4-carboxamide CAS Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-2-thiazolyl]-1-benzoxepin-4-carboxamide IUPAC Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide Traditional Name: N-[5-(3-chloro-4-methyl-benzyl)thiazol-2-yl]-1-benzoxepin-4-carboxamide Formula: C22H17ClN2O2S MolecularWeight: 408.90058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC4=CC=CC=C4OC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC4=CC=CC=C4OC=C3)Cl

InChI

InChI=1S/C22H17ClN2O2S/c1-14-6-7-15(11-19(14)23)10-18-13-24-22(28-18)25-21(26)17-8-9-27-20-5-3-2-4-16(20)12-17/h2-9,11-13H,10H2,1H3,(H,24,25,26)