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

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methyl-3-(4-nitroimidazol-1-yl)propanamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methyl-3-(4-nitroimidazol-1-yl)propanamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methyl-3-(4-nitro-1-imidazolyl)propanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methyl-3-(4-nitroimidazol-1-yl)propanamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methyl-3-(4-nitroimidazol-1-yl)propionamide Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)C(=O)CCN4C=C(N=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)C(=O)CCN4C=C(N=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O3S/c1-23(19(26)10-11-24-12-18(21-13-24)25(27)28)15-8-6-14(7-9-15)20-22-16-4-2-3-5-17(16)29-20/h2-9,12-13H,10-11H2,1H3