(NZ)-N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methoxy-benzenesulfonamide

Systemtic Name: (NZ)-N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methoxy-benzenesulfonamide Openeye Name: (NZ)-N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methoxy-benzenesulfonamide CAS Name: (NZ)-N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide IUPAC Name: (NZ)-N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide Traditional Name: (NZ)-N-(6-butyl-3-propargyl-1,3-benzothiazol-2-ylidene)-4-methoxy-benzenesulfonamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(C=C3)OC)S2)CC#C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(C=C3)OC)/S2)CC#C

InChI

InChI=1S/C21H22N2O3S2/c1-4-6-7-16-8-13-19-20(15-16)27-21(23(19)14-5-2)22-28(24,25)18-11-9-17(26-3)10-12-18/h2,8-13,15H,4,6-7,14H2,1,3H3/b22-21-