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

Systemtic Name: N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(6-isopropyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide CAS Name: N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(6-isopropyl-3-propargyl-1,3-benzothiazol-2-ylidene)-piperonylamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3S/c1-4-9-23-16-7-5-14(13(2)3)11-19(16)27-21(23)22-20(24)15-6-8-17-18(10-15)26-12-25-17/h1,5-8,10-11,13H,9,12H2,2-3H3