1,1-bis(oxidanylidene)-5-phenyl-4-(4-phenylbutylamino)-2-(pyridin-3-ylmethyl)-1,2-thiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-5-phenyl-4-(4-phenylbutylamino)-2-(pyridin-3-ylmethyl)-1,2-thiazol-3-one Openeye Name: 1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-2-(3-pyridylmethyl)isothiazol-3-one CAS Name: 1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-2-(3-pyridinylmethyl)-3-isothiazolone IUPAC Name: 1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-2-(pyridin-3-ylmethyl)-1,2-thiazol-3-one Traditional Name: 1,1-diketo-5-phenyl-4-(4-phenylbutylamino)-2-(3-pyridylmethyl)isothiazol-3-one Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC2=C(S(=O)(=O)N(C2=O)CC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC2=C(S(=O)(=O)N(C2=O)CC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3S/c29-25-23(27-17-8-7-12-20-10-3-1-4-11-20)24(22-14-5-2-6-15-22)32(30,31)28(25)19-21-13-9-16-26-18-21/h1-6,9-11,13-16,18,27H,7-8,12,17,19H2