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

Systemtic Name: 5-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide Openeye Name: N-allyl-5-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzothiophene-2-carboxamide CAS Name: 5-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide Traditional Name: N-allyl-5-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzothiophene-2-carboxamide Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=NC2=C(S1)CCCC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C=CCN(C1=NC2=C(S1)CCCC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3S2/c1-2-9-21(19-20-14-5-3-4-6-16(14)27-19)18(23)17-11-12-10-13(22(24)25)7-8-15(12)26-17/h2,7-8,10-11H,1,3-6,9H2