N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylmethyl)benzamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylmethyl)benzamide Openeye Name: 4-benzyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-(phenylmethyl)benzamide IUPAC Name: 4-benzyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-benzyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O3S/c25-20(16-8-6-15(7-9-16)12-14-4-2-1-3-5-14)23-21-22-18-11-10-17(24(26)27)13-19(18)28-21/h1-11,13H,12H2,(H,22,23,25)