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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O3S/c25-20(16-5-1-3-7-18(16)24(26)27)22-13-14-9-11-15(12-10-14)21-23-17-6-2-4-8-19(17)28-21/h1-12H,13H2,(H,22,25)