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

Systemtic Name: 1-(3-ethanoylphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Openeye Name: 1-(3-acetylphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea CAS Name: 1-(3-acetylphenyl)-3-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Traditional Name: 1-(3-acetylphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-15(26)16-7-6-8-17(13-16)24-22(27)23-14-19-18-9-2-3-10-20(18)28-21(19)25-11-4-5-12-25/h4-8,11-13H,2-3,9-10,14H2,1H3,(H2,23,24,27)