1-[(4-tert-butylphenyl)methyl]-3-[2-(1-methylpyrrol-2-yl)ethyl]thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[2-(1-methylpyrrol-2-yl)ethyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[2-(1-methylpyrrol-2-yl)ethyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[2-(1-methyl-2-pyrrolyl)ethyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[2-(1-methylpyrrol-2-yl)ethyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[2-(1-methylpyrrol-2-yl)ethyl]thiourea Formula: C19H27N3S MolecularWeight: 329.50278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCCC2=CC=CN2C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCCC2=CC=CN2C

InChI

InChI=1S/C19H27N3S/c1-19(2,3)16-9-7-15(8-10-16)14-21-18(23)20-12-11-17-6-5-13-22(17)4/h5-10,13H,11-12,14H2,1-4H3,(H2,20,21,23)