N-(1,3-benzothiazol-2-yl)-2-chloranyl-N-(4-ethoxyphenyl)-4-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-chloranyl-N-(4-ethoxyphenyl)-4-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-ethoxyphenyl)-4-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-ethoxyphenyl)-4-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-(4-ethoxyphenyl)-4-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-chloro-4-nitro-N-p-phenetyl-benzamide Formula: C22H16ClN3O4S MolecularWeight: 453.89814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C2=NC3=CC=CC=C3S2)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H16ClN3O4S/c1-2-30-16-10-7-14(8-11-16)25(22-24-19-5-3-4-6-20(19)31-22)21(27)17-12-9-15(26(28)29)13-18(17)23/h3-13H,2H2,1H3