3-methyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3-methyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-methyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-methyl-N-[2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-methyl-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-1,3-benzothiazol-6-yl]-3-methyl-benzamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCN(CC4)C

InChI

InChI=1S/C22H24N4O2S2/c1-15-4-3-5-16(12-15)21(28)23-17-6-7-18-19(13-17)30-22(24-18)29-14-20(27)26-10-8-25(2)9-11-26/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,28)