1-[5-tert-butyl-2-[(5-oxidanylidene-1,4-diazepan-1-yl)carbonyl]thiophen-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea

Systemtic Name: 1-[5-tert-butyl-2-[(5-oxidanylidene-1,4-diazepan-1-yl)carbonyl]thiophen-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea Openeye Name: 1-[5-tert-butyl-2-(5-oxo-1,4-diazepane-1-carbonyl)-3-thienyl]-3-[4-(4-pyridyloxy)phenyl]urea CAS Name: 1-[5-tert-butyl-2-[oxo-(5-oxo-1,4-diazepan-1-yl)methyl]-3-thiophenyl]-3-(4-pyridin-4-yloxyphenyl)urea IUPAC Name: 1-[5-tert-butyl-2-(5-oxo-1,4-diazepane-1-carbonyl)thiophen-3-yl]-3-(4-pyridin-4-yloxyphenyl)urea Traditional Name: 1-[5-tert-butyl-2-(5-keto-1,4-diazepane-1-carbonyl)-3-thienyl]-3-[4-(4-pyridyloxy)phenyl]urea Formula: C26H29N5O4S MolecularWeight: 507.60456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)C(=O)N2CCC(=O)NCC2)NC(=O)NC3=CC=C(C=C3)OC4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)N2CCC(=O)NCC2)NC(=O)NC3=CC=C(C=C3)OC4=CC=NC=C4

InChI

InChI=1S/C26H29N5O4S/c1-26(2,3)21-16-20(23(36-21)24(33)31-14-10-22(32)28-13-15-31)30-25(34)29-17-4-6-18(7-5-17)35-19-8-11-27-12-9-19/h4-9,11-12,16H,10,13-15H2,1-3H3,(H,28,32)(H2,29,30,34)