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

Systemtic Name: N-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide CAS Name: N-[2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Traditional Name: N-[2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,3-benzothiazol-6-yl]butyramide Formula: C23H26N4O2S2 MolecularWeight: 454.60814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S2/c1-2-6-21(28)24-17-9-10-19-20(15-17)31-23(25-19)30-16-22(29)27-13-11-26(12-14-27)18-7-4-3-5-8-18/h3-5,7-10,15H,2,6,11-14,16H2,1H3,(H,24,28)