N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide

Systemtic Name: N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Openeye Name: N-(6-isopropyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide IUPAC Name: N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide Traditional Name: N-(6-isopropyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)C

InChI

InChI=1S/C18H16N4O5S/c1-10(2)11-4-5-15-16(8-11)28-18(20(15)3)19-17(23)12-6-13(21(24)25)9-14(7-12)22(26)27/h4-10H,1-3H3