1-[(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(1-isopropyl-2,5-dimethyl-pyrrole-3-carbonyl)amino]thiourea CAS Name: 1-[[(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-oxomethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(1-isopropyl-2,5-dimethyl-pyrrole-3-carbonyl)amino]thiourea Formula: C18H23FN4OS MolecularWeight: 362.464823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)NNC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)NNC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H23FN4OS/c1-11(2)23-12(3)9-16(13(23)4)17(24)21-22-18(25)20-10-14-5-7-15(19)8-6-14/h5-9,11H,10H2,1-4H3,(H,21,24)(H2,20,22,25)