N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)tetralin-6-carboxamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)tetralin-6-carboxamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(CCCC4)C=C3)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(CCCC4)C=C3)S2)CC#C

InChI

InChI=1S/C23H21N3O2S/c1-3-12-26-20-11-10-19(24-15(2)27)14-21(20)29-23(26)25-22(28)18-9-8-16-6-4-5-7-17(16)13-18/h1,8-11,13-14H,4-7,12H2,2H3,(H,24,27)