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

Systemtic Name: 1-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]carbonylamino]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[[[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-oxomethyl]amino]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)thiourea Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)NNC(=S)NC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H22N4O2S/c1-14-4-5-15(2)25(14)18-10-6-16(7-11-18)20(26)23-24-21(28)22-17-8-12-19(27-3)13-9-17/h4-13H,1-3H3,(H,23,26)(H2,22,24,28)