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

Systemtic Name: 1-(2-methoxyphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Openeye Name: 1-(2-methoxyphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea CAS Name: 1-(2-methoxyphenyl)-3-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]urea IUPAC Name: 1-(2-methoxyphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Traditional Name: 1-(2-methoxyphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C21H23N3O2S/c1-26-18-10-4-3-9-17(18)23-21(25)22-14-16-15-8-2-5-11-19(15)27-20(16)24-12-6-7-13-24/h3-4,6-7,9-10,12-13H,2,5,8,11,14H2,1H3,(H2,22,23,25)