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

Systemtic Name: 1-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)carbonylamino]-3-(3-methylphenyl)thiourea Openeye Name: 1-[(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)amino]-3-(m-tolyl)thiourea CAS Name: 1-[[(2,5-dimethyl-1-phenyl-3-pyrrolyl)-oxomethyl]amino]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]-3-(3-methylphenyl)thiourea Traditional Name: 1-[(2,5-dimethyl-1-phenyl-pyrrole-3-carbonyl)amino]-3-(m-tolyl)thiourea Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4OS/c1-14-8-7-9-17(12-14)22-21(27)24-23-20(26)19-13-15(2)25(16(19)3)18-10-5-4-6-11-18/h4-13H,1-3H3,(H,23,26)(H2,22,24,27)