4-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide CAS Name: 4-(ethylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-ethylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-(ethylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3S2/c1-2-30-18-9-6-15(7-10-18)21(27)25(14-16-5-3-4-12-23-16)22-24-19-11-8-17(26(28)29)13-20(19)31-22/h3-13H,2,14H2,1H3