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

Systemtic Name: 3-methyl-N-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-methyl-N-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-methyl-N-[2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-methyl-N-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,3-benzothiazol-6-yl]-3-methyl-benzamide Formula: C27H26N4O2S2 MolecularWeight: 502.65094

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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)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S2/c1-19-6-5-7-20(16-19)26(33)28-21-10-11-23-24(17-21)35-27(29-23)34-18-25(32)31-14-12-30(13-15-31)22-8-3-2-4-9-22/h2-11,16-17H,12-15,18H2,1H3,(H,28,33)