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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NCC2=CC=C(C=C2)N3CCCC3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NCC2=CC=C(C=C2)N3CCCC3=O)C

InChI

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