N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide CAS Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(6-butyl-3-propargyl-1,3-benzothiazol-2-ylidene)-piperonylamide Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCO4)S2)CC#C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)OCO4)S2)CC#C

InChI

InChI=1S/C22H20N2O3S/c1-3-5-6-15-7-9-17-20(12-15)28-22(24(17)11-4-2)23-21(25)16-8-10-18-19(13-16)27-14-26-18/h2,7-10,12-13H,3,5-6,11,14H2,1H3