N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pentoxy-benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pentoxy-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pentoxy-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pentoxybenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pentoxybenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-3-amoxy-benzamide Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC#C

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC#C

InChI

InChI=1S/C24H25N3O3S/c1-4-6-7-14-30-20-10-8-9-18(15-20)23(29)26-24-27(13-5-2)21-12-11-19(25-17(3)28)16-22(21)31-24/h2,8-12,15-16H,4,6-7,13-14H2,1,3H3,(H,25,28)