4-bromanyl-3-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-bromanyl-3-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-allyl-4-bromo-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-bromo-3-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-bromo-3-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-allyl-4-bromo-3-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Formula: C17H16BrN3O3S MolecularWeight: 422.29624

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=NC2=C(S1)CCCC2)C(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C=CCN(C1=NC2=C(S1)CCCC2)C(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN3O3S/c1-2-9-20(17-19-13-5-3-4-6-15(13)25-17)16(22)11-7-8-12(18)14(10-11)21(23)24/h2,7-8,10H,1,3-6,9H2