N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide Openeye Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide CAS Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide IUPAC Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide Traditional Name: N-(5,6-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide Formula: C20H15N3O3S2 MolecularWeight: 409.4814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CC#C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CC#C)OC

InChI

InChI=1S/C20H15N3O3S2/c1-4-9-23-13-10-14(25-2)15(26-3)11-17(13)28-20(23)22-18(24)19-21-12-7-5-6-8-16(12)27-19/h1,5-8,10-11H,9H2,2-3H3