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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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