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

Systemtic Name: 1-[5-tert-butyl-3-(3-oxidanylidenepiperazin-1-yl)carbonyl-thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea Openeye Name: 1-[5-tert-butyl-3-(3-oxopiperazine-1-carbonyl)-2-thienyl]-3-[4-(4-pyridyloxy)phenyl]urea CAS Name: 1-[5-tert-butyl-3-[oxo-(3-oxo-1-piperazinyl)methyl]-2-thiophenyl]-3-(4-pyridin-4-yloxyphenyl)urea IUPAC Name: 1-[5-tert-butyl-3-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea Traditional Name: 1-[5-tert-butyl-3-(3-ketopiperazine-1-carbonyl)-2-thienyl]-3-[4-(4-pyridyloxy)phenyl]urea Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)N4CCNC(=O)C4

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)N4CCNC(=O)C4

InChI

InChI=1S/C25H27N5O4S/c1-25(2,3)20-14-19(23(32)30-13-12-27-21(31)15-30)22(35-20)29-24(33)28-16-4-6-17(7-5-16)34-18-8-10-26-11-9-18/h4-11,14H,12-13,15H2,1-3H3,(H,27,31)(H2,28,29,33)