N-(2-chloranyl-6-methyl-phenyl)-2-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[[3-(4-methyl-1-piperazinyl)propylamino]-oxomethyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[3-(4-methylpiperazino)propylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Formula: C24H29ClN6O2S MolecularWeight: 501.04406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCCN4CCN(CC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCCN4CCN(CC4)C

InChI

InChI=1S/C24H29ClN6O2S/c1-16-5-3-6-18(25)21(16)28-22(32)17-7-8-19-20(15-17)34-24(27-19)29-23(33)26-9-4-10-31-13-11-30(2)12-14-31/h3,5-8,15H,4,9-14H2,1-2H3,(H,28,32)(H2,26,27,29,33)