N-(5-chloranylpyridin-2-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]butanamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]butyramide Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC3=C(S2)C=C(C=C3)OCC

Isomeric SMILES

CCC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC3=C(S2)C=C(C=C3)OCC

InChI

InChI=1S/C18H18ClN3O2S2/c1-3-14(17(23)22-16-8-5-11(19)10-20-16)25-18-21-13-7-6-12(24-4-2)9-15(13)26-18/h5-10,14H,3-4H2,1-2H3,(H,20,22,23)