N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-nitroimidazol-1-yl)propanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-nitroimidazol-1-yl)propanamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-nitroimidazol-1-yl)propanamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-nitro-1-imidazolyl)propanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-nitroimidazol-1-yl)propanamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2-nitroimidazol-1-yl)propionamide Formula: C19H15N5O3S MolecularWeight: 393.4191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCN4C=CN=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCN4C=CN=C4[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O3S/c25-17(9-11-23-12-10-20-19(23)24(26)27)21-14-7-5-13(6-8-14)18-22-15-3-1-2-4-16(15)28-18/h1-8,10,12H,9,11H2,(H,21,25)