3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C21H22N4O4S3 MolecularWeight: 490.61878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C21H22N4O4S3/c1-14(26)24-8-10-25(11-9-24)32(28,29)17-5-3-4-15(12-17)20(27)22-16-6-7-18-19(13-16)31-21(23-18)30-2/h3-7,12-13H,8-11H2,1-2H3,(H,22,27)