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

Systemtic Name: 4-ethylsulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-ethylsulfanyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 4-(ethylthio)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-ethylsulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-(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=C(C=C1)C(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC=C4S3)C(C)C

Isomeric SMILES

CCSC1=CC=C(C=C1)C(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC=C4S3)C(C)C

InChI

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