N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,5-dimethyl-isoxazole-4-carboxamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-3,5-dimethyl-4-isoxazolecarboxamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Traditional Name: 3,5-dimethyl-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]isoxazole-4-carboxamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

InChI

InChI=1S/C21H19N3O3S2/c1-12-19(13(2)27-24-12)20(25)22-15-8-9-16-18(10-15)29-21(23-16)28-11-14-6-4-5-7-17(14)26-3/h4-10H,11H2,1-3H3,(H,22,25)