N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-propanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-propanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-propanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylpropanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylpropanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-propionamide Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c20-15(9-6-11-4-2-1-3-5-11)18-16-17-13-8-7-12(19(21)22)10-14(13)23-16/h1-5,7-8,10H,6,9H2,(H,17,18,20)