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

Systemtic Name: 1-[5-tert-butyl-3-[(5-oxidanylidene-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl]-3-(4-cyanonaphthalen-1-yl)urea Openeye Name: 1-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)-2-thienyl]-3-(4-cyano-1-naphthyl)urea CAS Name: 1-[5-tert-butyl-3-[oxo-(5-oxo-1,4-diazepan-1-yl)methyl]-2-thiophenyl]-3-(4-cyano-1-naphthalenyl)urea IUPAC Name: 1-[5-tert-butyl-3-(5-oxo-1,4-diazepane-1-carbonyl)thiophen-2-yl]-3-(4-cyanonaphthalen-1-yl)urea Traditional Name: 1-[5-tert-butyl-3-(5-keto-1,4-diazepane-1-carbonyl)-2-thienyl]-3-(4-cyano-1-naphthyl)urea Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC=C(C3=CC=CC=C32)C#N)C(=O)N4CCC(=O)NCC4

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)NC(=O)NC2=CC=C(C3=CC=CC=C32)C#N)C(=O)N4CCC(=O)NCC4

InChI

InChI=1S/C26H27N5O3S/c1-26(2,3)21-14-19(24(33)31-12-10-22(32)28-11-13-31)23(35-21)30-25(34)29-20-9-8-16(15-27)17-6-4-5-7-18(17)20/h4-9,14H,10-13H2,1-3H3,(H,28,32)(H2,29,30,34)