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

Systemtic Name: 1-(4-butylphenyl)-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[4-(2-ketopyrrolidino)benzyl]thiourea Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C22H27N3OS/c1-2-3-5-17-7-11-19(12-8-17)24-22(27)23-16-18-9-13-20(14-10-18)25-15-4-6-21(25)26/h7-14H,2-6,15-16H2,1H3,(H2,23,24,27)