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

Systemtic Name: 2-ethylsulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-ethylsulfanyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 2-(ethylthio)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-ethylsulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-(ethylthio)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide Formula: C25H25N3OS2 MolecularWeight: 447.6155

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC=C4S3)C(C)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC=C4S3)C(C)C

InChI

InChI=1S/C25H25N3OS2/c1-4-30-21-12-6-5-10-20(21)24(29)28(16-18-9-8-14-26-15-18)25-27-23-19(17(2)3)11-7-13-22(23)31-25/h5-15,17H,4,16H2,1-3H3