N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H24N5O3S2+ MolecularWeight: 446.56626

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N/N=C/3\N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C20H23N5O3S2/c1-23-10-12-25(13-11-23)30(27,28)16-7-5-6-15(14-16)19(26)21-22-20-24(2)17-8-3-4-9-18(17)29-20/h3-9,14H,10-13H2,1-2H3,(H,21,26)/p+1/b22-20+