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

Systemtic Name: 1-(3-ethylphenyl)-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]thiourea Openeye Name: 1-(3-ethylphenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiourea CAS Name: 1-(3-ethylphenyl)-3-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]thiourea IUPAC Name: 1-(3-ethylphenyl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiourea Traditional Name: 1-(3-ethylphenyl)-3-[4-(2-ketopyrrolidino)benzyl]thiourea Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NCC2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C20H23N3OS/c1-2-15-5-3-6-17(13-15)22-20(25)21-14-16-8-10-18(11-9-16)23-12-4-7-19(23)24/h3,5-6,8-11,13H,2,4,7,12,14H2,1H3,(H2,21,22,25)