3-[(2-tert-butyl-6-piperidin-1-yl-2H-1,3-benzothiazol-3-yl)carbamoyldisulfanyl]propanoic acid

Systemtic Name: 3-[(2-tert-butyl-6-piperidin-1-yl-2H-1,3-benzothiazol-3-yl)carbamoyldisulfanyl]propanoic acid Openeye Name: 3-[[2-tert-butyl-6-(1-piperidyl)-2H-1,3-benzothiazol-3-yl]carbamoyldisulfanyl]propanoic acid CAS Name: 3-[[[[2-tert-butyl-6-(1-piperidinyl)-2H-1,3-benzothiazol-3-yl]amino]-oxomethyl]disulfanyl]propanoic acid IUPAC Name: 3-[(2-tert-butyl-6-piperidin-1-yl-2H-1,3-benzothiazol-3-yl)carbamoyldisulfanyl]propanoic acid Traditional Name: 3-[(2-tert-butyl-6-piperidino-2H-1,3-benzothiazol-3-yl)carbamoyldisulfanyl]propionic acid Formula: C20H29N3O3S3 MolecularWeight: 455.65756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1N(C2=C(S1)C=C(C=C2)N3CCCCC3)NC(=O)SSCCC(=O)O

Isomeric SMILES

CC(C)(C)C1N(C2=C(S1)C=C(C=C2)N3CCCCC3)NC(=O)SSCCC(=O)O

InChI

InChI=1S/C20H29N3O3S3/c1-20(2,3)18-23(21-19(26)29-27-12-9-17(24)25)15-8-7-14(13-16(15)28-18)22-10-5-4-6-11-22/h7-8,13,18H,4-6,9-12H2,1-3H3,(H,21,26)(H,24,25)