(E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-1-(2-naphthalen-1-ylsulfinylethyl)-1-propan-2-yl-urea

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-1-(2-naphthalen-1-ylsulfinylethyl)-1-propan-2-yl-urea Openeye Name: 3-(2-dimethylaminoethyl)-1-isopropyl-1-[2-(1-naphthylsulfinyl)ethyl]urea; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-dimethylaminoethyl)-1-[2-(1-naphthalenylsulfinyl)ethyl]-1-propan-2-ylurea IUPAC Name: (E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-1-(2-naphthalen-1-ylsulfinylethyl)-1-propan-2-ylurea Traditional Name: 3-(2-dimethylaminoethyl)-1-isopropyl-1-[2-(1-naphthylsulfinyl)ethyl]urea; fumaric acid Formula: C24H33N3O6S MolecularWeight: 491.60032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCS(=O)C1=CC=CC2=CC=CC=C21)C(=O)NCCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N(CCS(=O)C1=CC=CC2=CC=CC=C21)C(=O)NCCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H29N3O2S.C4H4O4/c1-16(2)23(20(24)21-12-13-22(3)4)14-15-26(25)19-11-7-9-17-8-5-6-10-18(17)19;5-3(6)1-2-4(7)8/h5-11,16H,12-15H2,1-4H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;2-1+