N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-nitro-N-(phenylmethyl)benzamide

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H16ClN3O3S/c1-14-18(23)10-11-19-20(14)24-22(30-19)25(13-15-6-3-2-4-7-15)21(27)16-8-5-9-17(12-16)26(28)29/h2-12H,13H2,1H3