4-tert-butyl-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-tert-butyl-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-tert-butyl-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-tert-butyl-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-tert-butyl-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-tert-butyl-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-5-12-23-17-11-10-16(24(26)27)13-18(17)28-20(23)22-19(25)14-6-8-15(9-7-14)21(2,3)4/h6-11,13H,5,12H2,1-4H3