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

Systemtic Name: 4-methoxy-N-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-methoxy-N-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-methoxy-N-[2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-methoxy-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]-4-methoxy-benzamide Formula: C27H26N4O3S2 MolecularWeight: 518.65034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3S2/c1-34-22-10-7-19(8-11-22)26(33)28-20-9-12-23-24(17-20)36-27(29-23)35-18-25(32)31-15-13-30(14-16-31)21-5-3-2-4-6-21/h2-12,17H,13-16,18H2,1H3,(H,28,33)