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

Systemtic Name: 1-(2,4-dimethylphenyl)-3-[6-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)pyridin-3-yl]urea Openeye Name: 1-(2,4-dimethylphenyl)-3-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-(2,4-dimethylphenyl)-3-[6-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-(2,4-dimethylphenyl)-3-[6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-(2,4-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=CC(=C(C=C1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=CS4)C

Isomeric SMILES

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

InChI

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