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

Systemtic Name: 1-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[(2,5-dimethyl-1-phenyl-3-pyrrolyl)-oxomethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)amino]-3-(4-fluorobenzyl)thiourea Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NNC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NNC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4OS/c1-14-12-19(15(2)26(14)18-6-4-3-5-7-18)20(27)24-25-21(28)23-13-16-8-10-17(22)11-9-16/h3-12H,13H2,1-2H3,(H,24,27)(H2,23,25,28)