N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(3-methylphenoxy)-N-(phenylmethyl)butanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(3-methylphenoxy)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(3-methylphenoxy)butanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(3-methylphenoxy)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(3-methylphenoxy)butanamide Traditional Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(3-methylphenoxy)butyramide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=C(C=C4S3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=C(C=C4S3)C)C

InChI

InChI=1S/C27H28N2O2S/c1-19-9-7-12-23(16-19)31-14-8-13-25(30)29(18-22-10-5-4-6-11-22)27-28-26-21(3)15-20(2)17-24(26)32-27/h4-7,9-12,15-17H,8,13-14,18H2,1-3H3