(E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-1-(2-naphthalen-1-yloxyethyl)-1-propan-2-yl-thiourea

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-1-(2-naphthalen-1-yloxyethyl)-1-propan-2-yl-thiourea Openeye Name: 3-(2-dimethylaminoethyl)-1-isopropyl-1-[2-(1-naphthyloxy)ethyl]thiourea; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-dimethylaminoethyl)-1-[2-(1-naphthalenyloxy)ethyl]-1-propan-2-ylthiourea IUPAC Name: (E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-1-(2-naphthalen-1-yloxyethyl)-1-propan-2-ylthiourea Traditional Name: 3-(2-dimethylaminoethyl)-1-isopropyl-1-[2-(1-naphthoxy)ethyl]thiourea; fumaric acid Formula: C24H33N3O5S MolecularWeight: 475.60092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCOC1=CC=CC2=CC=CC=C21)C(=S)NCCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)N(CCOC1=CC=CC2=CC=CC=C21)C(=S)NCCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H29N3OS.C4H4O4/c1-16(2)23(20(25)21-12-13-22(3)4)14-15-24-19-11-7-9-17-8-5-6-10-18(17)19;5-3(6)1-2-4(7)8/h5-11,16H,12-15H2,1-4H3,(H,21,25);1-2H,(H,5,6)(H,7,8)/b;2-1+