1-[(2S)-2-ethylhexyl]-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[4-(2-ketopyrrolidino)benzyl]thiourea Formula: C20H31N3OS MolecularWeight: 361.54464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NCC1=CC=C(C=C1)N2CCCC2=O

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NCC1=CC=C(C=C1)N2CCCC2=O

InChI

InChI=1S/C20H31N3OS/c1-3-5-7-16(4-2)14-21-20(25)22-15-17-9-11-18(12-10-17)23-13-6-8-19(23)24/h9-12,16H,3-8,13-15H2,1-2H3,(H2,21,22,25)/t16-/m0/s1