N-(4-methyl-3-nitro-phenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(4-methyl-3-nitrophenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-1,3-benzothiazole-6-carboxamide Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=CS3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O3S/c1-9-2-4-11(7-13(9)18(20)21)17-15(19)10-3-5-12-14(6-10)22-8-16-12/h2-8H,1H3,(H,17,19)