1-(4-methoxyphenyl)-3-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-(4-methoxyphenyl)-3-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-(4-methoxyphenyl)-3-[6-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-(4-methoxyphenyl)-3-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-(4-methoxyphenyl)-3-[6-[4-(2-thenyl)-1,4-diazepan-1-yl]-3-pyridyl]urea Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C23H27N5O2S/c1-30-20-8-5-18(6-9-20)25-23(29)26-19-7-10-22(24-16-19)28-12-3-11-27(13-14-28)17-21-4-2-15-31-21/h2,4-10,15-16H,3,11-14,17H2,1H3,(H2,25,26,29)