5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-cyclohexyl-6-oxidanyl-2-phenethyl-3H-pyran-4-one

Systemtic Name: 5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-cyclohexyl-6-oxidanyl-2-phenethyl-3H-pyran-4-one Openeye Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-cyclohexyl-6-hydroxy-2-phenethyl-3H-pyran-4-one CAS Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-cyclohexyl-6-hydroxy-2-phenethyl-3H-pyran-4-one IUPAC Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-cyclohexyl-6-hydroxy-2-phenethyl-3H-pyran-4-one Traditional Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-cyclohexyl-6-hydroxy-2-phenethyl-3H-pyran-4-one Formula: C30H36N2O3S2 MolecularWeight: 536.74844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1SC3=C(OC(CC3=O)(CCC4=CC=CC=C4)C5CCCCC5)O)SC(=N2)N

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1SC3=C(OC(CC3=O)(CCC4=CC=CC=C4)C5CCCCC5)O)SC(=N2)N

InChI

InChI=1S/C30H36N2O3S2/c1-29(2,3)21-16-22-25(37-28(31)32-22)17-24(21)36-26-23(33)18-30(35-27(26)34,20-12-8-5-9-13-20)15-14-19-10-6-4-7-11-19/h4,6-7,10-11,16-17,20,34H,5,8-9,12-15,18H2,1-3H3,(H2,31,32)