1-[(4-methylphenyl)methyl]-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea

Systemtic Name: 1-[(4-methylphenyl)methyl]-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Openeye Name: 1-(p-tolylmethyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea CAS Name: 1-[(4-methylphenyl)methyl]-3-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]urea IUPAC Name: 1-[(4-methylphenyl)methyl]-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Traditional Name: 1-(4-methylbenzyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea Formula: C22H25N3OS MolecularWeight: 379.5184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C22H25N3OS/c1-16-8-10-17(11-9-16)14-23-22(26)24-15-19-18-6-2-3-7-20(18)27-21(19)25-12-4-5-13-25/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H2,23,24,26)