4-[[4-(azepan-1-yl)phenyl]amino]-2-tert-butyl-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one

Systemtic Name: 4-[[4-(azepan-1-yl)phenyl]amino]-2-tert-butyl-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one Openeye Name: 4-[4-(azepan-1-yl)anilino]-2-tert-butyl-1,1-dioxo-5-phenyl-isothiazol-3-one CAS Name: 4-[4-(1-azepanyl)anilino]-2-tert-butyl-1,1-dioxo-5-phenyl-3-isothiazolone IUPAC Name: 4-[4-(azepan-1-yl)anilino]-2-tert-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one Traditional Name: 4-[4-(azepan-1-yl)anilino]-2-tert-butyl-1,1-diketo-5-phenyl-isothiazol-3-one Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H31N3O3S/c1-25(2,3)28-24(29)22(23(32(28,30)31)19-11-7-6-8-12-19)26-20-13-15-21(16-14-20)27-17-9-4-5-10-18-27/h6-8,11-16,26H,4-5,9-10,17-18H2,1-3H3