1-(4-tert-butylphenyl)-3-(5-methyl-2-pyrrol-1-yl-phenyl)thiourea

Systemtic Name: 1-(4-tert-butylphenyl)-3-(5-methyl-2-pyrrol-1-yl-phenyl)thiourea Openeye Name: 1-(4-tert-butylphenyl)-3-(5-methyl-2-pyrrol-1-yl-phenyl)thiourea CAS Name: 1-(4-tert-butylphenyl)-3-[5-methyl-2-(1-pyrrolyl)phenyl]thiourea IUPAC Name: 1-(4-tert-butylphenyl)-3-(5-methyl-2-pyrrol-1-ylphenyl)thiourea Traditional Name: 1-(4-tert-butylphenyl)-3-(5-methyl-2-pyrrol-1-yl-phenyl)thiourea Formula: C22H25N3S MolecularWeight: 363.519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=C2)NC(=S)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=C2)NC(=S)NC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H25N3S/c1-16-7-12-20(25-13-5-6-14-25)19(15-16)24-21(26)23-18-10-8-17(9-11-18)22(2,3)4/h5-15H,1-4H3,(H2,23,24,26)