N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-chloro-3-nitro-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-4-chloro-3-nitro-benzamide Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

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