(E)-but-2-enedioic acid; N-[2-(cyclohexylamino)ethyl]-1-methoxy-4-methylsulfanyl-naphthalene-2-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(cyclohexylamino)ethyl]-1-methoxy-4-methylsulfanyl-naphthalene-2-carboxamide Openeye Name: N-[2-(cyclohexylamino)ethyl]-1-methoxy-4-methylsulfanyl-naphthalene-2-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[2-(cyclohexylamino)ethyl]-1-methoxy-4-(methylthio)-2-naphthalenecarboxamide IUPAC Name: (E)-but-2-enedioic acid; N-[2-(cyclohexylamino)ethyl]-1-methoxy-4-methylsulfanylnaphthalene-2-carboxamide Traditional Name: N-[2-(cyclohexylamino)ethyl]-1-methoxy-4-(methylthio)-2-naphthamide; fumaric acid Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=CC=CC=C21)SC)C(=O)NCCNC3CCCCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C2=CC=CC=C21)SC)C(=O)NCCNC3CCCCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H28N2O2S.C4H4O4/c1-25-20-17-11-7-6-10-16(17)19(26-2)14-18(20)21(24)23-13-12-22-15-8-4-3-5-9-15;5-3(6)1-2-4(7)8/h6-7,10-11,14-15,22H,3-5,8-9,12-13H2,1-2H3,(H,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1+