N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(pyridin-3-ylmethoxy)benzamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(pyridin-3-ylmethoxy)benzamide Openeye Name: N-(6-chlorothiochroman-4-yl)-3-(3-pyridylmethoxy)benzamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(3-pyridinylmethoxy)benzamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-(pyridin-3-ylmethoxy)benzamide Traditional Name: N-(6-chlorothiochroman-4-yl)-3-(3-pyridylmethoxy)benzamide Formula: C22H19ClN2O2S MolecularWeight: 410.91646

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CC(=CC=C3)OCC4=CN=CC=C4)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=CC(=CC=C3)OCC4=CN=CC=C4)C=C(C=C2)Cl

InChI

InChI=1S/C22H19ClN2O2S/c23-17-6-7-21-19(12-17)20(8-10-28-21)25-22(26)16-4-1-5-18(11-16)27-14-15-3-2-9-24-13-15/h1-7,9,11-13,20H,8,10,14H2,(H,25,26)