ethanedioic acid; N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

Systemtic Name: ethanedioic acid; N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine Openeye Name: N-[(4-morpholinophenyl)methyl]thiochroman-4-amine; oxalic acid CAS Name: N-[[4-(4-morpholinyl)phenyl]methyl]-3,4-dihydro-2H-1-benzothiopyran-4-amine; oxalic acid IUPAC Name: N-[(4-morpholin-4-ylphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine; oxalic acid Traditional Name: (4-morpholinobenzyl)-thiochroman-4-yl-amine; oxalic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NCC3=CC=C(C=C3)N4CCOCC4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CSC2=CC=CC=C2C1NCC3=CC=C(C=C3)N4CCOCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2OS.C2H2O4/c1-2-4-20-18(3-1)19(9-14-24-20)21-15-16-5-7-17(8-6-16)22-10-12-23-13-11-22;3-1(4)2(5)6/h1-8,19,21H,9-15H2;(H,3,4)(H,5,6)