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

Systemtic Name: 1-(4-methoxyphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Openeye Name: 1-(4-methoxyphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophen-3-yl)methyl]urea CAS Name: 1-(4-methoxyphenyl)-3-[[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]urea Traditional Name: 1-(4-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=C(C=C1)NC(=O)NCC2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-26-16-10-8-15(9-11-16)23-21(25)22-14-18-17-6-2-3-7-19(17)27-20(18)24-12-4-5-13-24/h4-5,8-13H,2-3,6-7,14H2,1H3,(H2,22,23,25)