N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-nitro-benzamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-nitro-benzamide Openeye Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-nitro-benzamide CAS Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-nitrobenzamide IUPAC Name: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-nitrobenzamide Traditional Name: N-[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-nitro-benzamide Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O3S/c1-13-6-7-15(21-23-17-4-2-3-5-19(17)28-21)12-18(13)22-20(25)14-8-10-16(11-9-14)24(26)27/h2-12H,1H3,(H,22,25)