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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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