2-butyl-4-[(4-methoxyphenyl)methylamino]-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one

Systemtic Name: 2-butyl-4-[(4-methoxyphenyl)methylamino]-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one Openeye Name: 2-butyl-4-[(4-methoxyphenyl)methylamino]-1,1-dioxo-5-phenyl-isothiazol-3-one CAS Name: 2-butyl-4-[(4-methoxyphenyl)methylamino]-1,1-dioxo-5-phenyl-3-isothiazolone IUPAC Name: 2-butyl-4-[(4-methoxyphenyl)methylamino]-1,1-dioxo-5-phenyl-1,2-thiazol-3-one Traditional Name: 2-butyl-1,1-diketo-4-(p-anisylamino)-5-phenyl-isothiazol-3-one Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N2O4S/c1-3-4-14-23-21(24)19(22-15-16-10-12-18(27-2)13-11-16)20(28(23,25)26)17-8-6-5-7-9-17/h5-13,22H,3-4,14-15H2,1-2H3