N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethyl-benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethyl-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethyl-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-3,4-dimethyl-benzamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC#C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CC#C)C

InChI

InChI=1S/C21H19N3O2S/c1-5-10-24-18-9-8-17(22-15(4)25)12-19(18)27-21(24)23-20(26)16-7-6-13(2)14(3)11-16/h1,6-9,11-12H,10H2,2-4H3,(H,22,25)