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

Systemtic Name: 3,5-dinitro-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: N-(6-isopropyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3,5-dinitro-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: N-(6-isopropyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitro-benzamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-4-7-22-17-6-5-13(12(2)3)10-18(17)30-20(22)21-19(25)14-8-15(23(26)27)11-16(9-14)24(28)29/h5-6,8-12H,4,7H2,1-3H3