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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C)F

InChI

InChI=1S/C21H21FN4OS/c1-13-9-10-16(12-19(13)22)23-21(28)25-24-20(27)18-11-14(2)26(15(18)3)17-7-5-4-6-8-17/h4-12H,1-3H3,(H,24,27)(H2,23,25,28)