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

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]thiourea Formula: C21H23N3S MolecularWeight: 349.49242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2=CC=C(C=C2)N3C(=CC=C3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2=CC=C(C=C2)N3C(=CC=C3C)C

InChI

InChI=1S/C21H23N3S/c1-14-5-6-15(2)20(13-14)23-21(25)22-18-9-11-19(12-10-18)24-16(3)7-8-17(24)4/h5-13H,1-4H3,(H2,22,23,25)