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

Systemtic Name: 1-(4-methoxyphenyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]urea Openeye Name: 1-(4-methoxyphenyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethyl]urea CAS Name: 1-(4-methoxyphenyl)-3-[1-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]urea Traditional Name: 1-(4-methoxyphenyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethyl]urea Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(SC2=C1CCCC2)N3C=CC=C3)NC(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C1=C(SC2=C1CCCC2)N3C=CC=C3)NC(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O2S/c1-15(23-22(26)24-16-9-11-17(27-2)12-10-16)20-18-7-3-4-8-19(18)28-21(20)25-13-5-6-14-25/h5-6,9-15H,3-4,7-8H2,1-2H3,(H2,23,24,26)