4-(4-chloranyl-2-methyl-phenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(4-chloro-2-methyl-phenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(4-chloro-2-methylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(4-chloro-2-methylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-(4-chloro-2-methyl-phenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)butyramide Formula: C27H27ClN2O2S MolecularWeight: 479.03348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCOC4=C(C=C(C=C4)Cl)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCOC4=C(C=C(C=C4)Cl)C)C

InChI

InChI=1S/C27H27ClN2O2S/c1-18-14-20(3)26-24(15-18)33-27(29-26)30(17-21-8-5-4-6-9-21)25(31)10-7-13-32-23-12-11-22(28)16-19(23)2/h4-6,8-9,11-12,14-16H,7,10,13,17H2,1-3H3