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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-4-methyl-2-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-4-methyl-2-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-4-methyl-2-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-4-methyl-2-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-4-methyl-2-nitro-benzamide Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N(C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N(C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN3O3S/c1-13-9-10-16(18(11-13)25(27)28)20(26)24(15-6-4-5-14(22)12-15)21-23-17-7-2-3-8-19(17)29-21/h2-12H,1H3