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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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