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

Systemtic Name: N-[2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: N-[2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: N-[2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: N-[2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-1,3-benzothiazol-6-yl]propionamide Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCN(CC3)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCN(CC3)C

InChI

InChI=1S/C17H22N4O2S2/c1-3-15(22)18-12-4-5-13-14(10-12)25-17(19-13)24-11-16(23)21-8-6-20(2)7-9-21/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,22)