N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-(4-isopropylphenyl)-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide IUPAC Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide Traditional Name: N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-p-cumenyl-acetamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C

InChI

InChI=1S/C21H19N3O3S/c1-4-11-23-18-13-17(24(26)27)9-10-19(18)28-21(23)22-20(25)12-15-5-7-16(8-6-15)14(2)3/h1,5-10,13-14H,11-12H2,2-3H3