N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenethyl-benzamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenethyl-benzamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenethyl-benzamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenethylbenzamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenethylbenzamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenethyl-benzamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

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