N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylcarbonyl)benzamide

Systemtic Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylcarbonyl)benzamide Openeye Name: 4-benzoyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-benzoyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-benzoyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-benzoyl-N-(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C25H18N2O3S MolecularWeight: 426.48702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)S2)CC#C

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C25H18N2O3S/c1-3-15-27-21-14-13-20(30-2)16-22(21)31-25(27)26-24(29)19-11-9-18(10-12-19)23(28)17-7-5-4-6-8-17/h1,4-14,16H,15H2,2H3