2-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-yl]ethyl 4-tert-butylbenzoate

Systemtic Name: 2-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-yl]ethyl 4-tert-butylbenzoate Openeye Name: 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid 2-[4-(1,1-diketo-1,2-benzothiazol-3-yl)piperazino]ethyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCN2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCN2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C24H29N3O4S/c1-24(2,3)19-10-8-18(9-11-19)23(28)31-17-16-26-12-14-27(15-13-26)22-20-6-4-5-7-21(20)32(29,30)25-22/h4-11H,12-17H2,1-3H3