N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)ethanamide

Systemtic Name: N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)ethanamide Openeye Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(4-isopropylsulfonylphenyl)acetamide CAS Name: N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)acetamide IUPAC Name: N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylsulfonylphenyl)acetamide Traditional Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(4-isopropylsulfonylphenyl)acetamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S2/c1-4-11-23-18-10-7-16(24(26)27)13-19(18)30-21(23)22-20(25)12-15-5-8-17(9-6-15)31(28,29)14(2)3/h4-10,13-14H,1,11-12H2,2-3H3