N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-(6-chlorothiochroman-4-yl)-2-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-(4-thiazolylmethylthio)benzamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-(6-chlorothiochroman-4-yl)-2-(thiazol-4-ylmethylthio)benzamide Formula: C20H17ClN2OS3 MolecularWeight: 433.00978

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CC=CC=C3SCC4=CSC=N4)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=CC=CC=C3SCC4=CSC=N4)C=C(C=C2)Cl

InChI

InChI=1S/C20H17ClN2OS3/c21-13-5-6-19-16(9-13)17(7-8-26-19)23-20(24)15-3-1-2-4-18(15)27-11-14-10-25-12-22-14/h1-6,9-10,12,17H,7-8,11H2,(H,23,24)