3-(2-diethylaminoethyl)-1-(2-phenoxyethyl)-1-propan-2-yl-thiourea; ethanedioic acid

Systemtic Name: 3-(2-diethylaminoethyl)-1-(2-phenoxyethyl)-1-propan-2-yl-thiourea; ethanedioic acid Openeye Name: 3-(2-diethylaminoethyl)-1-isopropyl-1-(2-phenoxyethyl)thiourea; oxalic acid CAS Name: 3-(2-diethylaminoethyl)-1-(2-phenoxyethyl)-1-propan-2-ylthiourea; oxalic acid IUPAC Name: 3-(2-diethylaminoethyl)-1-(2-phenoxyethyl)-1-propan-2-ylthiourea; oxalic acid Traditional Name: 3-(2-diethylaminoethyl)-1-isopropyl-1-(2-phenoxyethyl)thiourea; oxalic acid Formula: C20H33N3O5S MolecularWeight: 427.55812

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=S)N(CCOC1=CC=CC=C1)C(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCNC(=S)N(CCOC1=CC=CC=C1)C(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H31N3OS.C2H2O4/c1-5-20(6-2)13-12-19-18(23)21(16(3)4)14-15-22-17-10-8-7-9-11-17;3-1(4)2(5)6/h7-11,16H,5-6,12-15H2,1-4H3,(H,19,23);(H,3,4)(H,5,6)