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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]urea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4)OC

InChI

InChI=1S/C22H25N3O3S/c1-27-18-10-9-15(13-19(18)28-2)24-22(26)23-14-17-16-7-3-4-8-20(16)29-21(17)25-11-5-6-12-25/h5-6,9-13H,3-4,7-8,14H2,1-2H3,(H2,23,24,26)