N-[[4-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-[(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide Openeye Name: N-[[4-[(6-chlorothiochroman-4-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide CAS Name: N-[[4-[[(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-oxomethyl]phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide Traditional Name: N-[4-[(6-chlorothiochroman-4-yl)carbamoyl]benzyl]thiophene-2-carboxamide Formula: C22H19ClN2O2S2 MolecularWeight: 442.98146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CC=C(C=C3)CNC(=O)C4=CC=CS4)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=CC=C(C=C3)CNC(=O)C4=CC=CS4)C=C(C=C2)Cl

InChI

InChI=1S/C22H19ClN2O2S2/c23-16-7-8-19-17(12-16)18(9-11-29-19)25-21(26)15-5-3-14(4-6-15)13-24-22(27)20-2-1-10-28-20/h1-8,10,12,18H,9,11,13H2,(H,24,27)(H,25,26)