N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-N-(phenylmethyl)benzamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H19N3O3S/c1-15-11-12-20-21(16(15)2)24-23(30-20)25(14-17-7-4-3-5-8-17)22(27)18-9-6-10-19(13-18)26(28)29/h3-13H,14H2,1-2H3