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

Systemtic Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-butanoyl-carbamate Openeye Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-butanoyl-carbamate CAS Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-(1-oxobutyl)carbamic acid methyl ester IUPAC Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-butanoylcarbamate Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-N-butyryl-carbamic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-4-7-20(24)23(21(25)26-3)17-11-10-15(12-14(17)2)27-13-19-22-16-8-5-6-9-18(16)28-19/h5-6,8-12H,4,7,13H2,1-3H3