N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-[4-(2,5-dimethylphenyl)-2-thiazolyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-3-(3-keto-1,4-benzothiazin-4-yl)propionamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O2S2/c1-14-7-8-15(2)16(11-14)17-12-29-22(23-17)24-20(26)9-10-25-18-5-3-4-6-19(18)28-13-21(25)27/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,24,26)