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

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]urea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3OS/c1-14-8-9-15(12-18(14)22)24-21(26)23-13-17-16-6-2-3-7-19(16)27-20(17)25-10-4-5-11-25/h4-5,8-12H,2-3,6-7,13H2,1H3,(H2,23,24,26)