2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide CAS Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]-N-mesityl-propionamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C21H23N3O2S2/c1-11-8-12(2)19(13(3)9-11)24-20(26)14(4)27-21-23-17-7-6-16(22-15(5)25)10-18(17)28-21/h6-10,14H,1-5H3,(H,22,25)(H,24,26)