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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

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