7-chloranyl-N-[5-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]-9-methoxy-1-benzoxepine-4-carboxamide

Systemtic Name: 7-chloranyl-N-[5-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]-9-methoxy-1-benzoxepine-4-carboxamide Openeye Name: 7-chloro-N-[5-[(3,5-dimethylphenyl)methyl]thiazol-2-yl]-9-methoxy-1-benzoxepine-4-carboxamide CAS Name: 7-chloro-N-[5-[(3,5-dimethylphenyl)methyl]-2-thiazolyl]-9-methoxy-1-benzoxepin-4-carboxamide IUPAC Name: 7-chloro-N-[5-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]-9-methoxy-1-benzoxepine-4-carboxamide Traditional Name: 7-chloro-N-[5-(3,5-dimethylbenzyl)thiazol-2-yl]-9-methoxy-1-benzoxepin-4-carboxamide Formula: C24H21ClN2O3S MolecularWeight: 452.95314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN2O3S/c1-14-6-15(2)8-16(7-14)9-20-13-26-24(31-20)27-23(28)17-4-5-30-22-18(10-17)11-19(25)12-21(22)29-3/h4-8,10-13H,9H2,1-3H3,(H,26,27,28)