methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-(3-methylbutanoyl)carbamate

Systemtic Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-(3-methylbutanoyl)carbamate Openeye Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-(3-methylbutanoyl)carbamate CAS Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-(3-methyl-1-oxobutyl)carbamic acid methyl ester IUPAC Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-(3-methylbutanoyl)carbamate Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-isovaleryl-carbamic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N(C(=O)CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N(C(=O)CC(C)C)C(=O)OC

InChI

InChI=1S/C22H24N2O4S/c1-14(2)11-21(25)24(22(26)27-4)18-10-9-16(12-15(18)3)28-13-20-23-17-7-5-6-8-19(17)29-20/h5-10,12,14H,11,13H2,1-4H3