N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-butoxy-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-butoxy-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-butoxy-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-butoxybenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-butoxybenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-butoxy-benzamide Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C25H24N2O2S/c1-3-4-15-29-20-12-9-18(10-13-20)24(28)26-21-14-11-19(16-17(21)2)25-27-22-7-5-6-8-23(22)30-25/h5-14,16H,3-4,15H2,1-2H3,(H,26,28)