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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-4-ethylsulfanyl-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-ethylsulfanyl-N-(2-pyridylmethyl)benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-(ethylthio)-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-ethylsulfanyl-N-(pyridin-2-ylmethyl)benzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-(ethylthio)-N-(2-pyridylmethyl)benzamide Formula: C22H18ClN3OS2 MolecularWeight: 439.98082

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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=CC=C4Cl

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C22H18ClN3OS2/c1-2-28-17-11-9-15(10-12-17)21(27)26(14-16-6-3-4-13-24-16)22-25-20-18(23)7-5-8-19(20)29-22/h3-13H,2,14H2,1H3