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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-benzyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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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)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)C

InChI

InChI=1S/C24H21N3O3S/c1-15-11-17(3)22-21(12-15)31-24(25-22)26(14-18-7-5-4-6-8-18)23(28)19-9-10-20(27(29)30)16(2)13-19/h4-13H,14H2,1-3H3