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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O3S/c1-15-6-5-9-19-20(15)23-22(29-19)24(14-16-7-3-2-4-8-16)21(26)17-10-12-18(13-11-17)25(27)28/h2-13H,14H2,1H3