3-(4-nitroimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(4-nitroimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4-nitroimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(4-nitro-1-imidazolyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-nitroimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(4-nitroimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propionamide Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)CCN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S/c19-12(5-6-17-7-11(14-8-17)18(20)21)16-13-15-9-3-1-2-4-10(9)22-13/h7-8H,1-6H2,(H,15,16,19)