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

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[6-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)pyridin-3-yl]urea Openeye Name: 1-(2,6-dimethylphenyl)-3-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-(2,6-dimethylphenyl)-3-[6-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-(2,6-dimethylphenyl)-3-[6-[4-(2-thenoyl)-1,4-diazepan-1-yl]-3-pyridyl]urea Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H27N5O2S/c1-17-6-3-7-18(2)22(17)27-24(31)26-19-9-10-21(25-16-19)28-11-5-12-29(14-13-28)23(30)20-8-4-15-32-20/h3-4,6-10,15-16H,5,11-14H2,1-2H3,(H2,26,27,31)