3-acetamido-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-methylphenyl)propanamide

Systemtic Name: 3-acetamido-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-methylphenyl)propanamide Openeye Name: 3-acetamido-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(p-tolyl)propanamide CAS Name: 3-acetamido-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-methylphenyl)propanamide IUPAC Name: 3-acetamido-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-methylphenyl)propanamide Traditional Name: 3-acetamido-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(p-tolyl)propionamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3)NC(=O)C

InChI

InChI=1S/C26H25N3O2S/c1-17-7-11-20(12-8-17)23(27-18(2)30)16-25(31)28-21-13-9-19(10-14-21)15-26-29-22-5-3-4-6-24(22)32-26/h3-14,23H,15-16H2,1-2H3,(H,27,30)(H,28,31)