N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-3-methyl-2-(2-thienylsulfonylamino)butanamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide Traditional Name: N-(6-chlorothiochroman-4-yl)-3-methyl-2-(2-thienylsulfonylamino)butyramide Formula: C18H21ClN2O3S3 MolecularWeight: 445.01894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCSC2=C1C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)NC1CCSC2=C1C=C(C=C2)Cl)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21ClN2O3S3/c1-11(2)17(21-27(23,24)16-4-3-8-26-16)18(22)20-14-7-9-25-15-6-5-12(19)10-13(14)15/h3-6,8,10-11,14,17,21H,7,9H2,1-2H3,(H,20,22)