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

Systemtic Name: 2-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C27H22N4O3S2 MolecularWeight: 514.61858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C27H22N4O3S2/c32-24(30-14-12-29(13-15-30)18-6-2-1-3-7-18)17-35-27-28-22-11-10-19(16-23(22)36-27)31-25(33)20-8-4-5-9-21(20)26(31)34/h1-11,16H,12-15,17H2