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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

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