methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-3-(2-methylphenyl)phenyl]carbonylcarbamate

Systemtic Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-3-(2-methylphenyl)phenyl]carbonylcarbamate Openeye Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-3-(o-tolyl)benzoyl]carbamate CAS Name: N-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-3-(2-methylphenyl)phenyl]-oxomethyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-3-(2-methylphenyl)benzoyl]carbamate Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-3-(o-tolyl)benzoyl]carbamic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2C)C(=O)NC(=O)OC)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2C)C(=O)NC(=O)OC)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H22N2O4S/c1-15-8-4-5-9-17(15)23-16(2)18(24(28)27-25(29)30-3)12-13-20(23)31-14-22-26-19-10-6-7-11-21(19)32-22/h4-13H,14H2,1-3H3,(H,27,28,29)