N-[4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]phenyl]ethanamide; ethanedioic acid

Systemtic Name: N-[4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]phenyl]ethanamide; ethanedioic acid Openeye Name: oxalic acid; N-[4-[(thiochroman-4-ylamino)methyl]phenyl]acetamide CAS Name: N-[4-[(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)methyl]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]phenyl]acetamide; oxalic acid Traditional Name: oxalic acid; N-[4-[(thiochroman-4-ylamino)methyl]phenyl]acetamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC2CCSC3=CC=CC=C23.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC2CCSC3=CC=CC=C23.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20N2OS.C2H2O4/c1-13(21)20-15-8-6-14(7-9-15)12-19-17-10-11-22-18-5-3-2-4-16(17)18;3-1(4)2(5)6/h2-9,17,19H,10-12H2,1H3,(H,20,21);(H,3,4)(H,5,6)