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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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