1-(2,5-dimethylphenyl)-3-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[3-(2-oxo-1-pyrrolidinyl)phenyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[3-(2-ketopyrrolidino)phenyl]thiourea Formula: C19H21N3OS MolecularWeight: 339.45454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2=CC=CC(=C2)N3CCCC3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2=CC=CC(=C2)N3CCCC3=O

InChI

InChI=1S/C19H21N3OS/c1-13-8-9-14(2)17(11-13)21-19(24)20-15-5-3-6-16(12-15)22-10-4-7-18(22)23/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H2,20,21,24)