3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N=C3N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C21H22N4O4S2/c1-15(26)24-10-12-25(13-11-24)31(28,29)17-7-5-6-16(14-17)20(27)22-21-23(2)18-8-3-4-9-19(18)30-21/h3-9,14H,10-13H2,1-2H3