1,3-bis(4-ethoxyphenyl)thiourea; 3-oxidanylidenehexanoic acid

Systemtic Name: 1,3-bis(4-ethoxyphenyl)thiourea; 3-oxidanylidenehexanoic acid Openeye Name: 1,3-bis(4-ethoxyphenyl)thiourea; 3-oxohexanoic acid CAS Name: 1,3-bis(4-ethoxyphenyl)thiourea; 3-oxohexanoic acid IUPAC Name: 1,3-bis(4-ethoxyphenyl)thiourea; 3-oxohexanoic acid Traditional Name: 1,3-bis(p-phenetyl)thiourea; 3-ketohexanoic acid Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC(=O)O.CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCC(=O)CC(=O)O.CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C17H20N2O2S.C6H10O3/c1-3-20-15-9-5-13(6-10-15)18-17(22)19-14-7-11-16(12-8-14)21-4-2;1-2-3-5(7)4-6(8)9/h5-12H,3-4H2,1-2H3,(H2,18,19,22);2-4H2,1H3,(H,8,9)