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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Openeye Name: 1-(2,3-dimethylphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea CAS Name: 1-(2,3-dimethylphenyl)-3-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]urea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Traditional Name: 1-(2,3-dimethylphenyl)-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=C(C(=CC=C1)NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS/c1-15-8-7-10-19(16(15)2)24-22(26)23-14-18-17-9-3-4-11-20(17)27-21(18)25-12-5-6-13-25/h5-8,10,12-13H,3-4,9,11,14H2,1-2H3,(H2,23,24,26)