N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-7-methoxy-1-benzoxepine-4-carboxamide

Systemtic Name: N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-7-methoxy-1-benzoxepine-4-carboxamide Openeye Name: N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-7-methoxy-1-benzoxepine-4-carboxamide CAS Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-2-thiazolyl]-7-methoxy-1-benzoxepin-4-carboxamide IUPAC Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-7-methoxy-1-benzoxepine-4-carboxamide Traditional Name: N-[5-(3-chloro-4-methyl-benzyl)thiazol-2-yl]-7-methoxy-1-benzoxepin-4-carboxamide Formula: C23H19ClN2O3S MolecularWeight: 438.92656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC4=C(C=CC(=C4)OC)OC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC4=C(C=CC(=C4)OC)OC=C3)Cl

InChI

InChI=1S/C23H19ClN2O3S/c1-14-3-4-15(10-20(14)24)9-19-13-25-23(30-19)26-22(27)16-7-8-29-21-6-5-18(28-2)12-17(21)11-16/h3-8,10-13H,9H2,1-2H3,(H,25,26,27)