1-[1-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)ethyl]-3-[(4-methylphenyl)methyl]urea

Systemtic Name: 1-[1-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)ethyl]-3-[(4-methylphenyl)methyl]urea Openeye Name: 1-[1-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)ethyl]-3-(p-tolylmethyl)urea CAS Name: 1-[1-[4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]ethyl]-3-[(4-methylphenyl)methyl]urea IUPAC Name: 1-[1-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)ethyl]-3-[(4-methylphenyl)methyl]urea Traditional Name: 1-[1-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)ethyl]-3-(4-methylbenzyl)urea Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)NC(C)C2=C(SC(=C2C)C)N3C=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)NC(C)C2=C(SC(=C2C)C)N3C=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-14-7-9-18(10-8-14)13-22-21(25)23-16(3)19-15(2)17(4)26-20(19)24-11-5-6-12-24/h5-12,16H,13H2,1-4H3,(H2,22,23,25)