1-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)thiourea

Systemtic Name: 1-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)thiourea Openeye Name: 1-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-3-(p-tolyl)thiourea CAS Name: 1-[[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]amino]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-3-(4-methylphenyl)thiourea Traditional Name: 1-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-3-(p-tolyl)thiourea Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

InChI

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