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

Systemtic Name: 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 3-[(4-methyl-1-piperazinyl)sulfonyl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 3-(4-methylpiperazino)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C20H22N4O3S3 MolecularWeight: 462.60868

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C20H22N4O3S3/c1-23-8-10-24(11-9-23)30(26,27)16-5-3-4-14(12-16)19(25)21-15-6-7-17-18(13-15)29-20(22-17)28-2/h3-7,12-13H,8-11H2,1-2H3,(H,21,25)