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

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3,3-diphenyl-propionamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O3S/c26-21(24-22-23-19-12-11-17(25(27)28)13-20(19)29-22)14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18H,14H2,(H,23,24,26)