2-chloranyl-N-[2-[(4-methylphenyl)carbonylamino]-1,3-benzothiazol-6-yl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(4-methylphenyl)carbonylamino]-1,3-benzothiazol-6-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[2-[[(4-methylphenyl)-oxomethyl]amino]-1,3-benzothiazol-6-yl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]-5-nitrobenzamide Traditional Name: 2-chloro-5-nitro-N-[2-(p-toluoylamino)-1,3-benzothiazol-6-yl]benzamide Formula: C22H15ClN4O4S MolecularWeight: 466.8969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H15ClN4O4S/c1-12-2-4-13(5-3-12)20(28)26-22-25-18-9-6-14(10-19(18)32-22)24-21(29)16-11-15(27(30)31)7-8-17(16)23/h2-11H,1H3,(H,24,29)(H,25,26,28)