4-(1,3-benzodioxol-5-ylmethylamino)-2-butyl-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-butyl-1,1-bis(oxidanylidene)-5-phenyl-1,2-thiazol-3-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-butyl-1,1-dioxo-5-phenyl-isothiazol-3-one CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-butyl-1,1-dioxo-5-phenyl-3-isothiazolone IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one Traditional Name: 2-butyl-1,1-diketo-5-phenyl-4-(piperonylamino)isothiazol-3-one Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O5S/c1-2-3-11-23-21(24)19(20(29(23,25)26)16-7-5-4-6-8-16)22-13-15-9-10-17-18(12-15)28-14-27-17/h4-10,12,22H,2-3,11,13-14H2,1H3