4-(1,3-benzothiazol-2-ylsulfanyl)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[6-(4-methylpiperazino)-3-pyridyl]butyramide Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N5OS2/c1-25-10-12-26(13-11-25)19-9-8-16(15-22-19)23-20(27)7-4-14-28-21-24-17-5-2-3-6-18(17)29-21/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,23,27)