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

Systemtic Name: 1-(2-bromophenyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]urea Openeye Name: 1-(2-bromophenyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethyl]urea CAS Name: 1-(2-bromophenyl)-3-[1-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethyl]urea Traditional Name: 1-(2-bromophenyl)-3-[1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)ethyl]urea Formula: C21H22BrN3OS MolecularWeight: 444.38788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(SC2=C1CCCC2)N3C=CC=C3)NC(=O)NC4=CC=CC=C4Br

Isomeric SMILES

CC(C1=C(SC2=C1CCCC2)N3C=CC=C3)NC(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C21H22BrN3OS/c1-14(23-21(26)24-17-10-4-3-9-16(17)22)19-15-8-2-5-11-18(15)27-20(19)25-12-6-7-13-25/h3-4,6-7,9-10,12-14H,2,5,8,11H2,1H3,(H2,23,24,26)