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

Systemtic Name: 2-chloranyl-5-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-allyl-2-chloro-5-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-chloro-5-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-chloro-5-nitro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-allyl-2-chloro-5-nitro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O3S/c1-2-9-20(17-19-14-5-3-4-6-15(14)25-17)16(22)12-10-11(21(23)24)7-8-13(12)18/h2,7-8,10H,1,3-6,9H2